SCHEMBL5114851

SCHEMBL5114851

COc1cccc(CC(=O)Nc2ccc(F)cc2)c1

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.69
MEN1 O00255 3/20 0.64
KMT2A Q03164 3/20 0.64
SMN1; SMN2 Q16637 3/20 0.62
MAPT P10636 2/20 0.62
ALDH1A1 P00352 1/20 0.62
RAB9A P51151 1/20 0.62
L3MBTL1 Q9Y468 1/20 0.60
POLB P06746 2/20 0.60
LMNA P02545 1/20 0.60
GAA P10253 2/20 0.59
MTNR1A P48039 2/20 0.58
MTNR1B P49286 2/20 0.58
MAPK1 P28482 1/20 0.58
PRKACA P17612 1/20 0.58
ROCK1 Q13464 1/20 0.58
FPR1 P21462 1/20 0.57
FPR2 P25090 1/20 0.57

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
SCHEMBL5103284 0.87 USP2 (0.84) USP2MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL5106971 0.87 RAB9A (0.70) USP2SMN1; SMN2RAB9AMTNR1AMTNR1B
SCHEMBL19062087 0.86 SMN1; SMN2 (0.72) USP2MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL10675526 0.86 CNR1 (0.66) USP2MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL27499406 0.86 CSNK1D (0.62) USP2MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL16404768 0.83 KMT2A (0.67) USP2MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL5106371 0.83 MEN1 (0.60) USP2MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL27432885 0.83 GAA (0.76) MEN1KMT2ASMN1; SMN2MAPTALDH1A1
SCHEMBL5113883 0.82 MEN1 (0.75) USP2MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL15741703 0.82 ROCK1 (0.76) USP2MEN1KMT2AMAPTPOLB

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 12 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-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-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
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 (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-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.