SCHEMBL3199519

SCHEMBL3199519

COc1ccc(N2C(=O)C3C4C=CC(CC4)C3C2=O)cc1O

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.56
MEN1 O00255 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
L3MBTL1 Q9Y468 2/20 0.54
ALDH1A1 P00352 2/20 0.51
KDM4E B2RXH2 1/20 0.51
ATM Q13315 2/20 0.50
POLB P06746 1/20 0.50
CYP3A4 P08684 1/20 0.48
TSHR P16473 1/20 0.48
CYP2C19 P33261 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
GAA P10253 1/20 0.46

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
SCHEMBL3199507 1.00 KMT2A (0.56) KMT2AMEN1SMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL5922918 0.92 TSHR (0.58) KMT2AMEN1ALDH1A1KDM4ECYP3A4
SCHEMBL3190857 0.92 TSHR (0.58) KMT2AMEN1ALDH1A1KDM4ECYP3A4
SCHEMBL3180454 0.87 L3MBTL1 (0.62) KMT2AMEN1SMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL3180427 0.87 L3MBTL1 (0.62) KMT2AMEN1SMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL3191457 0.84 KMT2A (0.62) KMT2AMEN1SMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL3191443 0.84 KMT2A (0.62) KMT2AMEN1SMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL3193682 0.83 L3MBTL1 (0.44) KMT2AMEN1SMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL3193702 0.83 L3MBTL1 (0.44) KMT2AMEN1SMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL3201228 0.82 L3MBTL1 (0.67) KMT2AMEN1SMN1; SMN2L3MBTL1ALDH1A1

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-7655688-B2 Treating nuclear hormone receptor-associated conditions such as cancer and immune disorders; (3a alpha ,4 alpha ,7 alpha ,7a alpha )-2-(3-Chloro-4-hydroxyphenyl)hexahydro-4,7-methano-1H-isoindole-1,3(2H)-dione BRISTOL-MYERS SQUIBB COMPANY (US) 2010-02-02 US claimed
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 claimed
US-20060111424-A1 Fused cyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function SALVATI MARK E 2006-05-25 US claimed
US-20040087548-A1 Fused cyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function BRISTOL-MYERS SQUIBB COMPANY 2004-05-06 US claimed
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 claimed
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 claimed
US-7655688-B2 Treating nuclear hormone receptor-associated conditions such as cancer and immune disorders; (3a alpha ,4 alpha ,7 alpha ,7a alpha )-2-(3-Chloro-4-hydroxyphenyl)hexahydro-4,7-methano-1H-isoindole-1,3(2H)-dione BRISTOL-MYERS SQUIBB COMPANY (US) 2010-02-02 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

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

For each of this compound's patents that has machine-readable text (2 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-20040087548-A1 Fused cyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function NCOA1, ESRRA, NR5A1 KMT2A 1756/4885MEN1 1676/4885SMN1; SMN2 3782/4885
US-20060111424-A1 Fused cyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function NCOA1, ESRRA, NR5A1 KMT2A 1756/4885MEN1 1676/4885SMN1; SMN2 3782/4885

“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.