SCHEMBL1978297

SCHEMBL1978297

O=CC(c1ccc(Cl)cc1)c1ccc(Cl)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.46
TSHR P16473 3/20 0.44
MAPK1 P28482 2/20 0.44
HIF1A Q16665 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
LMNA P02545 3/20 0.42
TP53 P04637 1/20 0.42
HPGD P15428 1/20 0.42
ADRB2 P07550 1/20 0.42
CYP2A6 P11509 1/20 0.42
BRD4 O60885 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
FFAR2 O15552 1/20 0.39
CYP19A1 P11511 3/20 0.39
IDO1 P14902 2/20 0.39
TDO2 P48775 2/20 0.39
ALOX15 P16050 1/20 0.38
APEX1 P27695 1/20 0.38

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
SCHEMBL1515902 0.91 IDO1 (0.48) HSD17B10TSHRMAPK1HIF1ATDP1
SCHEMBL5184111 0.87 CYP19A1 (0.61) HSD17B10MAPK1FFAR2CYP19A1
SCHEMBL7456881 0.84 HPGD (0.50) TSHRMAPK1TDP1LMNATP53
SCHEMBL11152058 0.84 ACP3 (0.41) HSD17B10TSHRTDP1IDO1TDO2
SCHEMBL21778081 0.84 ACP3 (0.41) HSD17B10TSHRTDP1IDO1TDO2
SCHEMBL14834576 0.81 CYP19A1 (0.42) HSD17B10TSHRMAPK1HIF1ATDP1
SCHEMBL6503338 0.80 CYP19A1 (0.62) FFAR2CYP19A1CYP3A4
SCHEMBL4686827 0.80 TP53 (0.44) HSD17B10TDP1LMNATP53BRD4
SCHEMBL3663698 0.80 CNR1 (0.53) HSD17B10TSHRMAPK1HIF1ATDP1
SCHEMBL1792519 0.79 HSD17B10 (0.46) HSD17B10TSHRMAPK1HIF1ATDP1

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 64 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160250187-A1 PYRAZOLE DERIVATIVES AS PROTEIN KINASE MODULATORS ASTEX THERAPEUTICS LTD (GB) 2016-09-01 US disclosed
US-20160250187-A1 PYRAZOLE DERIVATIVES AS PROTEIN KINASE MODULATORS ASTEX THERAPEUTICS LTD (GB) 2016-09-01 US disclosed
US-20160250187-A1 PYRAZOLE DERIVATIVES AS PROTEIN KINASE MODULATORS ASTEX THERAPEUTICS LTD (GB) 2016-09-01 US disclosed
US-9283226-B2 Pyrazole derivatives as protein kinase modulators ASTEX THERAPEUTICS LIMITED (GB) 2016-03-15 US disclosed
US-9283226-B2 Pyrazole derivatives as protein kinase modulators ASTEX THERAPEUTICS LIMITED (GB) 2016-03-15 US disclosed
US-20140271662-A1 PYRAZOLE DERIVATIVES AS PROTEIN KINASE MODULATORS ASTEX THERAPEUTICS LTD (GB) 2014-09-18 US disclosed
US-20140271662-A1 PYRAZOLE DERIVATIVES AS PROTEIN KINASE MODULATORS ASTEX THERAPEUTICS LTD (GB) 2014-09-18 US disclosed
US-20140271662-A1 PYRAZOLE DERIVATIVES AS PROTEIN KINASE MODULATORS ASTEX THERAPEUTICS LTD (GB) 2014-09-18 US disclosed
US-8691806-B2 Pyrazole derivatives as protein kinase modulators ASTEX THERAPEUTICS LIMITED (GB) 2014-04-08 US disclosed
US-8691806-B2 Pyrazole derivatives as protein kinase modulators ASTEX THERAPEUTICS LIMITED (GB) 2014-04-08 US disclosed
WO-2005061463-A1 PYRAZOLE DERIVATIVES AS PROTEIN KINASE MODULATORS ASTEX THERAPEUTICS LIMITED (GB) 2005-07-07 WO disclosed
EP-1318983-A2 SUBSTITUTED IMIDAZOLES AS DUAL HISTAMINE H1 AND H3 AGONISTS OR ANTAGONISTS Schering Corporation (US) 2003-06-18 EP disclosed
US-6518287-B2 Such as 2-((1-chlorophenyl-)pyridyl-)ethylamidoethyl-imidazole for treatment ofallergies, inflammatory and central nervous system-related diseases SCHERING CORPORATION 2003-02-11 US disclosed
US-20020103235-A1 Substituted imidazoles as dual histamine H1 and H3 agonists or antagonists SCHERING CORPORATION 2002-08-01 US disclosed
WO-2002024658-A2 SUBSTITUTED IMIDAZOLES AS DUAL HISTAMINE H1 AND H3 AGONISTS OR ANTAGONISTS SCHERING CORPORATION (US) 2002-03-28 WO disclosed
JP-2000239238-A NEW ALDEHYDE COMPOUND MITSUBISHI PAPER MILLS LTD 2000-09-05 JP disclosed
EP-0214507-B1 OUTDOOR FILMS STABILIZED AGAINST CHEMICAL ATTACK AMERICAN CYANAMID COMPANY (US) 1992-01-15 EP disclosed
US-4344954-A DIURETICS AMERICAN CYANAMID COMPANY (US) 1982-08-17 US disclosed
US-4125531-A ANTIDIARRHEA G. D. SEARLE & CO. (US) 1978-11-14 US disclosed
US-4013667-A ANTIDIARRHEAL AGENTS G. D. SEARLE & CO. (US) 1977-03-22 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-20140271662-A1 PYRAZOLE DERIVATIVES AS PROTEIN KINASE MODULATORS GRK3, GRK2, NR0B2 HSD17B10 2042/4885TSHR 406/4885MAPK1 180/4885
US-20020103235-A1 Substituted imidazoles as dual histamine H1 and H3 agonists or antagonists HRH3, HRH4, HRH2 HSD17B10 4475/4885TSHR 762/4885MAPK1 1379/4885
US-20160250187-A1 PYRAZOLE DERIVATIVES AS PROTEIN KINASE MODULATORS GRK3, GRK2, NR0B2 HSD17B10 2042/4885TSHR 406/4885MAPK1 180/4885

“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.