SCHEMBL3199039

SCHEMBL3199039

O=C1OC(=O)[C@H]2C3C=CC(CCC3)[C@@H]12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.44
KDM4E B2RXH2 1/20 0.44
GMNN O75496 1/20 0.44
PPM1B O75688 1/20 0.44
LMNA P02545 1/20 0.44
PPP1CC P36873 1/20 0.44
TFPI2 P48307 1/20 0.44
RAB9A P51151 1/20 0.44
PPP5C P53041 1/20 0.44
PPP1CA P62136 1/20 0.44
PMP22 Q01453 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TP53 P04637 1/20 0.44
CYP2D6 P10635 1/20 0.44
NFKB1 P19838 1/20 0.44
THPO P40225 1/20 0.44
POLB P06746 3/20 0.34
ALDH1A1 P00352 4/20 0.32
APEX1 P27695 1/20 0.30
RECQL P46063 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16199087 1.00 TDP1 (0.44) TDP1KDM4EGMNNPPM1BLMNA
SCHEMBL6127457 1.00 TDP1 (0.44) TDP1KDM4EGMNNPPM1BLMNA
SCHEMBL18723992 1.00 TDP1 (0.44) TDP1KDM4EGMNNPPM1BLMNA
SCHEMBL3199047 1.00 TDP1 (0.44) TDP1KDM4EGMNNPPM1BLMNA
SCHEMBL6519226 0.95 SMN1; SMN2 (0.44) TDP1KDM4EGMNNPPM1BLMNA
SCHEMBL2512784 0.90 TDP1 (0.48) TDP1KDM4EGMNNPPM1BLMNA
SCHEMBL5833458 0.90 TDP1 (0.48) TDP1KDM4EGMNNPPM1BLMNA
SCHEMBL21117867 0.90 TDP1 (0.48) TDP1KDM4EGMNNPPM1BLMNA
SCHEMBL351863 0.90 TDP1 (0.48) TDP1KDM4EGMNNPPM1BLMNA
SCHEMBL10029224 0.90 TDP1 (0.48) TDP1KDM4EGMNNPPM1BLMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9045418-B2 Compounds, compositions and methods for treatment and prevention of Orthopoxvirus infections and associated diseases SIGA TECHNOLOGIES, INC. (US) 2015-06-02 US disclosed
US-8871774-B2 Inhibitors of influenza viruses replication VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-10-28 US disclosed
US-20140316145-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATMENT AND PREVENTION OF ORTHOPOXVIRUS INFECTIONS AND ASSOCIATED DISEASES SIGA TECHNOLOGIES, INC., (US) 2014-10-23 US disclosed
US-8802714-B2 Compounds, compositions and methods for treatment and prevention of orthopoxvirus infections and associated diseases SIGA TECHNOLOGIES, INC. (US) 2014-08-12 US disclosed
US-8802714-B2 Compounds, compositions and methods for treatment and prevention of orthopoxvirus infections and associated diseases SIGA TECHNOLOGIES, INC. (US) 2014-08-12 US disclosed
US-8530509-B2 Compounds, compositions and methods for treatment and prevention of orthopoxvirus infections and associated diseases SIGA TECHNOLOGIES, INC. (US) 2013-09-10 US disclosed
US-8124643-B2 Compounds, compositions and methods for treatment and prevention of orthopoxvirus infections and associated diseases SIGA TECHNOLOGIES, INC. (US) 2012-02-28 US disclosed
US-20120020922-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATMENT AND PREVENTION OF ORTHOPOXVIRUS INFECTIONS AND ASSOCIATED DISEASES SIGA TECHNOLOGIES INC. (US) 2012-01-26 US disclosed
US-8039504-B2 heating a mixture of anti-tricyclo[3.2.2.0]non-6-ene-endo-8, endo-9-dicarboxylic acid anhydride, 4-(trifluoromethyl)benzhydrazide, and ethanol at reflux, concetrating and recrystallizing; 4-Trifluoromethyl-N- (3,3a,4,4a,5,5a,6,6a,- octahydro-1,3-dioxo-4,6- ethenocycloprop[f]isoindol- 2(1H)-yl)-benzamide SIGA TECHNOLOGIES, INC. (US) 2011-10-18 US disclosed
US-8039504-B2 heating a mixture of anti-tricyclo[3.2.2.0]non-6-ene-endo-8, endo-9-dicarboxylic acid anhydride, 4-(trifluoromethyl)benzhydrazide, and ethanol at reflux, concetrating and recrystallizing; 4-Trifluoromethyl-N- (3,3a,4,4a,5,5a,6,6a,- octahydro-1,3-dioxo-4,6- ethenocycloprop[f]isoindol- 2(1H)-yl)-benzamide SIGA TECHNOLOGIES, INC. (US) 2011-10-18 US disclosed
US-20080103181-A9 Compounds, compositions, and methods for treatment and prevention of orthopoxvirus infections and associated diseases SIGA TECHNOLOGIES, INC. (US) 2008-05-01 US disclosed
EP-1379249-A4 FUSED CYCLIC SUCCINIMIDE COMPOUNDS AND ANALOGS THEREOF, MODULATORS OF NUCLEAR HORMONE RECEPTOR FUNCTION BRISTOL MYERS SQUIBB CO (US) 2008-01-09 EP disclosed
US-20080004452-A1 Chemicals, compositions, and methods for treatment and prevention of orthopoxvirus infections and associated diseases SIGA TECHNOLOGIES, INC. (US) 2008-01-03 US disclosed
US-20080004452-A1 Chemicals, compositions, and methods for treatment and prevention of orthopoxvirus infections and associated diseases SIGA TECHNOLOGIES, INC. (US) 2008-01-03 US disclosed
US-20070287735-A1 Chemicals, compositions, and methods for treatment and prevention of orthopoxvirus infections and associated diseases SIGA TECHNOLOGIES, INC. (US) 2007-12-13 US disclosed
US-20070287735-A1 Chemicals, compositions, and methods for treatment and prevention of orthopoxvirus infections and associated diseases SIGA TECHNOLOGIES, INC. (US) 2007-12-13 US disclosed
US-20060111424-A1 Fused cyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function SALVATI MARK E 2006-05-25 US disclosed
US-20040087548-A1 Fused cyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function BRISTOL-MYERS SQUIBB COMPANY 2004-05-06 US disclosed
EP-1379249-A1 FUSED CYCLIC SUCCINIMIDE COMPOUNDS AND ANALOGS THEREOF, MODULATORS OF NUCLEAR HORMONE RECEPTOR FUNCTION Bristol-Myers Squibb Company (US) 2004-01-14 EP disclosed
WO-2002067939-A1 FUSED CYCLIC SUCCINIMIDE COMPOUNDS AND ANALOGS THEREOF, MODULATORS OF NUCLEAR HORMONE RECEPTOR FUNCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2002-09-06 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070287735-A1 Chemicals, compositions, and methods for treatment and prevention of orthopoxvirus infections and associated diseases OTC, FAHD1, OAT TDP1 1535/4885KDM4E 3057/4885GMNN 2951/4885
US-20080103181-A9 Compounds, compositions, and methods for treatment and prevention of orthopoxvirus infections and associated diseases OTC, FAHD1, OAT TDP1 1475/4885KDM4E 3219/4885GMNN 2832/4885
US-20080004452-A1 Chemicals, compositions, and methods for treatment and prevention of orthopoxvirus infections and associated diseases OTC, FAHD1, OAT TDP1 1535/4885KDM4E 3057/4885GMNN 2951/4885
US-20140316145-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATMENT AND PREVENTION OF ORTHOPOXVIRUS INFECTIONS AND ASSOCIATED DISEASES OTC, FAHD1, VAC14 TDP1 1495/4885KDM4E 3277/4885GMNN 2721/4885
US-20040087548-A1 Fused cyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function NCOA1, ESRRA, NR5A1 TDP1 4296/4885KDM4E 876/4885GMNN 2773/4885
US-20060111424-A1 Fused cyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function NCOA1, ESRRA, NR5A1 TDP1 4296/4885KDM4E 876/4885GMNN 2773/4885
US-20120020922-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATMENT AND PREVENTION OF ORTHOPOXVIRUS INFECTIONS AND ASSOCIATED DISEASES OTC, FAHD1, VAC14 TDP1 1495/4885KDM4E 3277/4885GMNN 2721/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.