SCHEMBL704579

SCHEMBL704579

N#Cc1ccc(C(=O)NN2C(=O)C3C4CCC(C5CC54)C3C2=O)cc1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
HDAC1 Q13547 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
MAPT P10636 2/20 0.43
HTT P42858 2/20 0.43
LMNA P02545 1/20 0.43
MAPK1 P28482 1/20 0.43
GAA P10253 1/20 0.42
THRB P10828 1/20 0.42
EPHX2 P34913 1/20 0.41
DPP4 P27487 1/20 0.41

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
SCHEMBL10029242 0.86 ALDH1A1 (0.71) ALDH1A1SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL401931 0.86 ALDH1A1 (0.71) ALDH1A1SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL401915 0.84 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL2526653 0.83 SMN1; SMN2 (0.62) ALDH1A1SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL18691800 0.82 HTT (0.62) ALDH1A1SMN1; SMN2MAPTHTTLMNA
SCHEMBL13142110 0.81 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2NPC1RAB9AHDAC1
SCHEMBL10029243 0.81 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2NPC1RAB9AHDAC1
SCHEMBL707059 0.81 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2NPC1RAB9AHDAC1
SCHEMBL17676791 0.81 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2NPC1RAB9AHDAC1
SCHEMBL21024667 0.75 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2HDAC1HDAC8HDAC6

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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-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-20130345278-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATMENT AND PREVENTION OF ORTHOPOXVIRUS INFECTIONS AND ASSOCIATED DISEASES SIGA TECHNOLOGIES, INC. (US) 2013-12-26 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-7956197-B2 Compounds, compositions and methods for treatment and prevention of orthopoxvirus infections and associated diseases SIGA TECHNOLOGIES, INC. (US) 2011-06-07 US disclosed
US-20110009456-A1 Compounds, Compositions and Methods for Treatment and Prevention of Orthopoxvirus Infections and Associated Diseases SIGA TECHNOLOGIES INC. (US) 2011-01-13 US 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 (3 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-20110009456-A1 Compounds, Compositions and Methods for Treatment and Prevention of Orthopoxvirus Infections and Associated Diseases OTC, FAHD1, VAC14 ALDH1A1 2022/4885SMN1; SMN2 2623/4885NPC1 1422/4885
US-20140316145-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATMENT AND PREVENTION OF ORTHOPOXVIRUS INFECTIONS AND ASSOCIATED DISEASES OTC, FAHD1, VAC14 ALDH1A1 2022/4885SMN1; SMN2 2623/4885NPC1 1422/4885
US-20130345278-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATMENT AND PREVENTION OF ORTHOPOXVIRUS INFECTIONS AND ASSOCIATED DISEASES OTC, FAHD1, VAC14 ALDH1A1 2022/4885SMN1; SMN2 2623/4885NPC1 1422/4885

“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.