SCHEMBL5113883

SCHEMBL5113883

COc1cccc(CC(=O)Nc2ccc(OC)nc2)c1

nearest known ligand 0.75

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.75
KMT2A Q03164 5/20 0.75
SMN1; SMN2 Q16637 2/20 0.67
LMNA P02545 3/20 0.65
NPC1 O15118 1/20 0.65
PKM P14618 1/20 0.65
USP2 O75604 1/20 0.63
MAPT P10636 3/20 0.59
KDM4E B2RXH2 1/20 0.59
ALDH1A1 P00352 1/20 0.58
PRKACA P17612 2/20 0.57
ROCK1 Q13464 2/20 0.57
WNT3A P56704 1/20 0.57
RECQL P46063 1/20 0.57
POLB P06746 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.55
PABPC1 P11940 1/20 0.55

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
SCHEMBL5114851 0.82 USP2 (0.69) MEN1KMT2ASMN1; SMN2LMNAUSP2
SCHEMBL27954449 0.81 NPC1 (0.71) MEN1KMT2ASMN1; SMN2LMNANPC1
SCHEMBL5103284 0.80 USP2 (0.84) MEN1KMT2ASMN1; SMN2LMNANPC1
SCHEMBL10675526 0.80 CNR1 (0.66) MEN1KMT2ASMN1; SMN2LMNAUSP2
SCHEMBL19062087 0.80 SMN1; SMN2 (0.72) MEN1KMT2ASMN1; SMN2LMNANPC1
SCHEMBL15741703 0.78 ROCK1 (0.76) MEN1KMT2ALMNAUSP2MAPT
SCHEMBL2828794 0.78 MAPT (0.52) MEN1KMT2ASMN1; SMN2LMNAUSP2
SCHEMBL14124407 0.78 ROCK2 (0.66) MEN1KMT2ALMNAUSP2PRKACA
SCHEMBL27487690 0.78 USP2 (1.00) MEN1KMT2ASMN1; SMN2NPC1USP2
SCHEMBL13491525 0.77 NPC1 (0.60) MEN1KMT2ALMNANPC1USP2

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-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
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

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 MEN1 3529/4885KMT2A 1658/4885SMN1; SMN2 3836/4885
US-20030087901-A1 Compounds and methods for modulation of estrogen receptors ESRRB, ESRRA, ESR2 MEN1 2886/4885KMT2A 1405/4885SMN1; SMN2 3647/4885
US-20040082575-A1 Compounds and methods for modulation of estrogen receptors ESRRB, ESRRA, ESR2 MEN1 2906/4885KMT2A 1547/4885SMN1; SMN2 3204/4885

“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.