SCHEMBL1978245

SCHEMBL1978245

COC(=O)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.57
HDAC7 Q8WUI4 1/20 0.57
HDAC5 Q9UQL6 1/20 0.57
L3MBTL1 Q9Y468 2/20 0.55
SLC6A4 P31645 2/20 0.48
SLC6A3 Q01959 2/20 0.48
SLC6A2 P23975 1/20 0.48
BRD4 O60885 1/20 0.47
FFAR2 O15552 1/20 0.46
CNR2 P34972 1/20 0.44
KMT2A Q03164 1/20 0.44
S1PR1 P21453 1/20 0.42
S1PR3 Q99500 1/20 0.42
CNR1 P21554 1/20 0.42
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL18547195 1.00 HDAC4 (0.57) HDAC4HDAC7HDAC5L3MBTL1SLC6A4
SCHEMBL4064082 0.83 ALDH1A1 (0.56) HDAC4HDAC7HDAC5L3MBTL1SLC6A4
SCHEMBL28575879 0.82 ATM (0.51) HDAC4HDAC7HDAC5L3MBTL1KMT2A
SCHEMBL1565337 0.82 L3MBTL1 (0.50) HDAC4HDAC7HDAC5L3MBTL1SLC6A4
SCHEMBL4507146 0.82 L3MBTL1 (0.50) HDAC4HDAC7HDAC5L3MBTL1SLC6A4
SCHEMBL21787636 0.82 L3MBTL1 (0.50) HDAC4HDAC7HDAC5L3MBTL1SLC6A4
SCHEMBL1155156 0.82 L3MBTL1 (0.50) HDAC4HDAC7HDAC5L3MBTL1SLC6A4
SCHEMBL1679062 0.82 L3MBTL1 (0.54) HDAC4HDAC7HDAC5L3MBTL1SLC6A4
SCHEMBL384968 0.81 ESR1 (0.58) CNR2KMT2ACNR1ALDH1A1
SCHEMBL5282428 0.81 L3MBTL1 (0.51) L3MBTL1CNR2KMT2ACNR1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190031618-A1 BENZIMIDAZOLE DERIVATIVES USEFUL AS CB-1 INVERSE AGONISTS JANSSEN PHARMACEUTICA NV (BE) 2019-01-31 US disclosed
US-10118900-B2 Benzimidazole derivatives useful as CB-1 inverse agonists JANSSEN PHARMACEUTICA NV (BE) 2018-11-06 US disclosed
WO-2017035114-A1 BENZIMIDAZOLE DERIVATIVES USEFUL AS CB-1 INVERSE AGONISTS JANSSEN PHARMACEUTICA NV (BE) 2017-03-02 WO disclosed
US-20170057929-A1 BENZIMIDAZOLE DERIVATIVES USEFUL AS CB-1 INVERSE AGONISTS JANSSEN PHARMACEUTICA NV (BE) 2017-03-02 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-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
WO-2006136821-A1 PHARMACEUTICAL COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2006-12-28 WO disclosed
WO-2006136837-A2 PHARMACEUTICAL COMBINATIONS COMPRISING PYRAZOLE DERIVATIVES AS PROTEIN KINASE MODULATORS ASTEX THERAPEUTICS LIMITED (GB) 2006-12-28 WO disclosed
EP-1706385-A1 PYRAZOLE DERIVATIVES AS PROTEIN KINASE MODULATORS Astex Therapeutics Limited (GB) 2006-10-04 EP 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
US-5210160-A PREPARATION OF HOMOPOLYMERS OF ETHENE AND COPOLYMERS OF ETHENE WITH HIGHER A-MONOOLEFINS USING A ZIEGLER CATALYST SYSTEM BASF AKTIENGESELLSCHAFT (DE) 1993-05-11 US disclosed
US-4066785-A Esters of α-hydroperoxy-bis-p-halo-phenylacetic acids YEDA RESEARCH & DEVELOPMENT CO., LTD. (IL) 1978-01-03 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 (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-20190031618-A1 BENZIMIDAZOLE DERIVATIVES USEFUL AS CB-1 INVERSE AGONISTS CNR1, GPR119, CNR2 HDAC4 1126/4885HDAC7 1451/4885HDAC5 1161/4885
US-20170057929-A1 BENZIMIDAZOLE DERIVATIVES USEFUL AS CB-1 INVERSE AGONISTS CNR1, GPR119, CNR2 HDAC4 1107/4885HDAC7 1419/4885HDAC5 1155/4885
US-10118900-B2 Benzimidazole derivatives useful as CB-1 inverse agonists CNR1, GPR119, CNR2 HDAC4 1107/4885HDAC7 1419/4885HDAC5 1155/4885
US-20140271662-A1 PYRAZOLE DERIVATIVES AS PROTEIN KINASE MODULATORS GRK3, GRK2, NR0B2 HDAC4 1174/4885HDAC7 972/4885HDAC5 970/4885
US-20020103235-A1 Substituted imidazoles as dual histamine H1 and H3 agonists or antagonists HRH3, HRH4, HRH2 HDAC4 641/4885HDAC7 602/4885HDAC5 517/4885
US-20160250187-A1 PYRAZOLE DERIVATIVES AS PROTEIN KINASE MODULATORS GRK3, GRK2, NR0B2 HDAC4 1174/4885HDAC7 972/4885HDAC5 970/4885

“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.