SCHEMBL1462035

SCHEMBL1462035

O=C(Cl)Cc1ccccc1OCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.57
DRD2 P14416 1/20 0.57
PTGER1 P34995 4/20 0.54
PTGER4 P35408 3/20 0.54
PTGER3 P43115 3/20 0.54
PTGER2 P43116 3/20 0.54
CFD P00746 1/20 0.53
PLG P00747 1/20 0.53
PLAU P00749 1/20 0.53
F11 P03951 1/20 0.53
KLKB1 P03952 1/20 0.53
F7 P08709 1/20 0.53
TPSB2 P20231 1/20 0.53
FOLH1 Q04609 1/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
GAA P10253 2/20 0.50
HPGD P15428 2/20 0.50
ALDH1A1 P00352 2/20 0.50
LMNA P02545 2/20 0.50
KDM4E B2RXH2 1/20 0.50

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
SCHEMBL31757878 1.00 HTR1A (0.57) HTR1ADRD2PTGER1PTGER4PTGER3
SCHEMBL1412911 0.88 HTR1A (0.59) HTR1ADRD2PTGER1PTGER4PTGER3
SCHEMBL10583993 0.88 FABP4 (0.60) HTR1ADRD2PTGER1PTGER4PTGER3
Methane SCHEMBL22289610 0.87 HTR1A (0.57) HTR1ADRD2PTGER1PTGER4PTGER3
SCHEMBL31757965 0.86 CFD (0.68) HTR1ADRD2PTGER1PTGER4PTGER3
SCHEMBL1007508 0.86 CFD (0.68) HTR1ADRD2PTGER1PTGER4PTGER3
SCHEMBL68571 0.83 L3MBTL1 (0.69) HTR1ADRD2PTGER1PTGER4PTGER3
SCHEMBL9840655 0.83 L3MBTL1 (0.49) PTGER1L3MBTL1HPGDALDH1A1LMNA
SCHEMBL8324677 0.82 L3MBTL1 (0.64) HTR1ADRD2PTGER1PTGER4PTGER3
SCHEMBL2988197 0.81 L3MBTL1 (0.56) HTR1ADRD2PTGER1PTGER4PTGER3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140045836-A1 [1,2,4]TRIAZOLO[1,5-C]PYRIMIDINE DERIVATIVES AS HSP90 MODULATORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2014-02-13 US disclosed
US-8580783-B2 [1,2,4]triazolo [1,5-c]pyrimidine derivatives as Hsp90 modulators NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2013-11-12 US disclosed
US-20120184546-A1 [1,2,4]TRIAZOLO [1,5-C]PYRIMIDINE DERIVATIVES AS HSP90 MODULATORS NERVIANO MEDICAL SCIENCES S.R.L (IT) 2012-07-19 US disclosed
EP-2475665-A1 [1,2,4]TRIAZOLO [1,5-c]PYRIMIDINE DERIVATIVES AS Hsup90 MODULATORS Nerviano Medical Sciences S.r.l. (IT) 2012-07-18 EP disclosed
WO-2011029775-A1 [1,2,4]TRIAZOLO [1,5-c]PYRIMIDINE DERIVATIVES AS Hsup90 MODULATORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2011-03-17 WO disclosed
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
US-5661187-A ADMINISTERING TO TREAT AN ALLERGIC OR INFLAMMATORY CONDITION; SIDE EFFECT REDUCTION TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) 1997-08-26 US disclosed
US-5462567-A Antideposit agents CHEVRON CHEMICAL COMPANY (US) 1995-10-31 US disclosed
EP-0664780-A1 10-SUBSTITUTED 1,8-DIHYDROXY-9(10H) ANTHRACENONE PHARMACEUTICALS TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 1995-08-02 EP 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 (5 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-20140045836-A1 [1,2,4]TRIAZOLO[1,5-C]PYRIMIDINE DERIVATIVES AS HSP90 MODULATORS HSP90AB1, HSP90AA1, HSP90AB2P HTR1A 1044/4885DRD2 4366/4885PTGER1 2088/4885
US-20050004360-A1 Compounds and methods for modulation of estrogen receptors ESRRB, ESR2, ESRRA HTR1A 1601/4885DRD2 4476/4885PTGER1 494/4885
US-20120184546-A1 [1,2,4]TRIAZOLO [1,5-C]PYRIMIDINE DERIVATIVES AS HSP90 MODULATORS HSP90AB1, HSP90AA1, HSP90AB2P HTR1A 959/4885DRD2 4490/4885PTGER1 1380/4885
US-20030087901-A1 Compounds and methods for modulation of estrogen receptors ESRRB, ESRRA, ESR2 HTR1A 1478/4885DRD2 4522/4885PTGER1 395/4885
US-20040082575-A1 Compounds and methods for modulation of estrogen receptors ESRRB, ESRRA, ESR2 HTR1A 1560/4885DRD2 4562/4885PTGER1 292/4885

“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.