SCHEMBL5103284

SCHEMBL5103284

COc1cccc(CC(=O)Nc2ccccc2)c1

nearest known ligand 0.84

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.84
MEN1 O00255 4/20 0.72
KMT2A Q03164 4/20 0.72
RAB9A P51151 3/20 0.71
MAPT P10636 2/20 0.71
ALDH1A1 P00352 1/20 0.71
SMN1; SMN2 Q16637 1/20 0.71
L3MBTL1 Q9Y468 1/20 0.69
POLB P06746 2/20 0.66
HIF1A Q16665 1/20 0.64
EPHX2 P34913 1/20 0.63
NPC1 O15118 2/20 0.62
PRKACA P17612 1/20 0.61
ROCK1 Q13464 1/20 0.61
LMNA P02545 1/20 0.61
P2RY14 Q15391 1/20 0.60
KCNQ2 O43526 1/20 0.59
GAA P10253 1/20 0.59

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
SCHEMBL27487690 0.91 USP2 (1.00) USP2MEN1KMT2ARAB9AMAPT
SCHEMBL10675526 0.87 CNR1 (0.66) USP2MEN1KMT2ARAB9AMAPT
SCHEMBL5114851 0.87 USP2 (0.69) USP2MEN1KMT2ARAB9AMAPT
SCHEMBL19062087 0.87 SMN1; SMN2 (0.72) USP2MEN1KMT2ARAB9AMAPT
SCHEMBL30493664 0.86 USP2 (0.71) USP2MEN1KMT2ARAB9AMAPT
SCHEMBL26099363 0.86 USP2 (0.71) USP2MEN1KMT2ARAB9AMAPT
SCHEMBL5108829 0.86 RAB9A (0.71) USP2MEN1KMT2ARAB9AMAPT
Oxirane SCHEMBL29014918 0.85 USP2 (0.87) USP2MEN1KMT2ARAB9AMAPT
SCHEMBL20211905 0.84 EPHX2 (0.61) USP2MEN1KMT2ARAB9AMAPT
SCHEMBL16404768 0.84 KMT2A (0.67) USP2MEN1KMT2ARAB9AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7435729-B2 Compounds and methods for modulation of estrogen receptors SIGNAL PHARMACEUTICALS, LLC (US) 2008-10-14 US disclosed
US-7279489-B2 Compounds and methods for modulation of estrogen receptors SIGNAL PHARMACEUTICALS, LLC (US) 2007-10-09 US disclosed
US-20050004360-A1 Compounds and methods for modulation of estrogen receptors SIGNAL PHARMACEUTICALS, INC. 2005-01-06 US disclosed
US-20040192685-A1 Tetrahydroisoquinoline compounds as estrogen agonists/antagonists CAMERON KIMBERLY O (US) 2004-09-30 US disclosed
US-20040082575-A1 Compounds and methods for modulation of estrogen receptors SIGNAL PHARMACEUTICALS, INC. 2004-04-29 US disclosed
US-6686351-B2 PARTIALLY HYDROGENATED FUSED INDENE, NAPHTHALENE, ISOINDOLE, ISOQUINOLINE, BENZOAZEPINE AND BENZOCYCLOHEPTENE DERIVATIVES SUBSTITUTED BY A HYDROXY GROUP OR DERIVATIVE AND AN ARYL OR N-HETEROARYL GROUP SIGNAL PHARMACEUTICALS, INC. 2004-02-03 US disclosed
US-20030220494-A1 Tetrahydroisoquinoline compounds as estrogen agonists/antagonists CAMERON KIMBERLY O (US) 2003-11-27 US disclosed
US-6608203-B2 Devoid of unwanted side effects PFIZER INC. 2003-08-19 US disclosed
US-6593322-B1 Methods are disclosed for modulating ER- beta in cell and/or tissues expressing the same, including cells and/ or tissue that preferentially ER- beta . Methods for treating estrogen-related conditions are also disclosed, including SIGNAL PHARMACEUTICALS, INC. 2003-07-15 US disclosed
EP-1322617-A1 COMPOUNDS AND METHODS FOR MODULATION OF ESTROGEN RECEPTORS SIGNAL PHARMACEUTICALS, INC. (US) 2003-07-02 EP disclosed
US-20030087901-A1 Compounds and methods for modulation of estrogen receptors SIGNAL PHARMACEUTICALS, INC. 2003-05-08 US disclosed
US-6436923-B1 ESTROGEN ANTAGONISTS AND/OR AGONISTS FOR TREATING ESTROGEN-RELATED CONDITIONS SIGNAL PHARMACEUTICALS, INC. 2002-08-20 US disclosed
WO-2002024653-A1 COMPOUNDS AND METHODS FOR MODULATION OF ESTROGEN RECEPTORS SIGNAL PHARMACEUTICALS, INC. (US) 2002-03-28 WO disclosed
EP-1163225-A1 COMPOUNDS AND METHODS FOR MODULATION OF ESTROGEN RECEPTORS SIGNAL PHARMACEUTICALS, INC. (US) 2001-12-19 EP disclosed
US-20010039285-A1 Tetrahydroisoquinoline compounds as estrogen agonists/antagonists CAMERON KIMBERLY O (US) 2001-11-08 US disclosed
EP-1113007-A1 Tetrahydroisoquinoline compounds as estrogen agonists/antagonists PFIZER INC. (US) 2001-07-04 EP disclosed
WO-2000055137-A1 COMPOUNDS AND METHODS FOR MODULATION OF ESTROGEN RECEPTORS SIGNAL PHARMACEUTICALS, INC. (US) 2000-09-21 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 (6 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-20010039285-A1 Tetrahydroisoquinoline compounds as estrogen agonists/antagonists GPER1, ESR1, ESR2 USP2 3632/4885MEN1 746/4885KMT2A 742/4885
US-20030220494-A1 Tetrahydroisoquinoline compounds as estrogen agonists/antagonists GPER1, ESR1, ESR2 USP2 3632/4885MEN1 746/4885KMT2A 742/4885
US-20040192685-A1 Tetrahydroisoquinoline compounds as estrogen agonists/antagonists GPER1, ESR1, ESR2 USP2 3632/4885MEN1 746/4885KMT2A 742/4885
US-20050004360-A1 Compounds and methods for modulation of estrogen receptors ESRRB, ESR2, ESRRA USP2 2197/4885MEN1 3529/4885KMT2A 1658/4885
US-20030087901-A1 Compounds and methods for modulation of estrogen receptors ESRRB, ESRRA, ESR2 USP2 2234/4885MEN1 2886/4885KMT2A 1405/4885
US-20040082575-A1 Compounds and methods for modulation of estrogen receptors ESRRB, ESRRA, ESR2 USP2 2377/4885MEN1 2906/4885KMT2A 1547/4885

“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.