SCHEMBL3318477

SCHEMBL3318477

OB(O)c1ccccc1-c1ccc(F)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.47
SLC6A3 Q01959 1/20 0.47
PTGS2 P35354 2/20 0.47
PTGS1 P23219 1/20 0.43
HTR7 P34969 1/20 0.42
TUBB4A P04350 3/20 0.42
TUBB P07437 3/20 0.42
TUBA3C P0DPH7 3/20 0.42
TUBA1B P68363 3/20 0.42
TUBA4A P68366 3/20 0.42
TUBB4B P68371 3/20 0.42
TUBB3 Q13509 3/20 0.42
TUBB2A Q13885 3/20 0.42
TUBB8 Q3ZCM7 3/20 0.42
TUBA3E Q6PEY2 3/20 0.42
TUBA1A Q71U36 3/20 0.42
TUBA1C Q9BQE3 3/20 0.42
TUBB6 Q9BUF5 3/20 0.42
TUBB2B Q9BVA1 3/20 0.42
TUBB1 Q9H4B7 3/20 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
SCHEMBL4145743 0.83 MGLL (0.54) PTGS2ENPP2
SCHEMBL29825386 0.83 MGLL (0.54) PTGS2ENPP2
SCHEMBL21933 0.82 ALDH1A1 (0.48) PTGS2ENPP2
Benzene SCHEMBL28163950 0.82 ALDH1A1 (0.48) PTGS2ENPP2
SCHEMBL29838597 0.82 ALDH1A1 (0.48) PTGS2ENPP2
SCHEMBL31364709 0.81 ABL1 (0.52) ENPP2
SCHEMBL1853561 0.81 CA2 (0.44) ENPP2ORAI1ORAI2ORAI3TRPV6
Methyl Alcohol SCHEMBL28631854 0.80 ALDH1A1 (0.46) PTGS2ENPP2
Water SCHEMBL29954878 0.80 ALDH1A1 (0.46) PTGS2ENPP2
SCHEMBL28326904 0.80 ALDH1A1 (0.46) ENPP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200308129-A1 SUBSTITUTED AROMATIC AMINES FOR USE IN ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2020-10-01 US disclosed
WO-2019115577-A1 SUBSTITUTED AROMATIC AMINES FOR USE IN ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2019-06-20 WO disclosed
EP-2114941-B1 BICYCLIC HETEROCYCLIC COMPOUNDS AS FGFR INHIBITORS ASTEX THERAPEUTICS LTD (GB) 2015-03-25 EP disclosed
US-8895745-B2 Bicyclic heterocyclic compounds as FGFR inhibitors ASTEX THERAPEUTICS LIMITED (GB) 2014-11-25 US disclosed
US-20100120761-A1 Bicyclic Heterocyclic Compounds as FGFR Inhibitors ASTEX THERAPEUTICS LIMITED (GB) 2010-05-13 US disclosed
EP-1755601-A2 INHIBITORS OF HISTONE DEACETYLASE Miikana Therapeutics, Inc. (US) 2007-02-28 EP disclosed
EP-1682143-A2 COMBINATIONS COMPRISING AN HSP90 INHIBITOR AND A PHOPHODIESTERASE INHIBITOR FOR TREATING OR PREVENTING NEOPLASIA Pharmacia Corporation (US) 2006-07-26 EP disclosed
US-20050250784-A1 Inhibitors of histone deacetylase MIIKANA THERAPEUTICS CORPORATION 2005-11-10 US disclosed
WO-2005086898-A2 INHIBITORS OF HISTONE DEACETYLASE MIIKANA THERAPEUTICS, INC. (US) 2005-09-22 WO disclosed
US-20050197336-A1 Inhibitors of histone deacetylase MIIKANA THERAPEUTICS CORPORATION 2005-09-08 US disclosed
EP-1351686-A2 SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL PYRIDINES USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE Pharmacia Corporation (US) 2003-10-15 EP disclosed
US-6624180-B2 Such as 2-(2-(N-((4-aminoiminomethylphenyl)methyl)-3-(3-aminophenyl)-6-(N,N -dimethylhydrazino)-1-oxypyridinyl))acetami de which inhibit serine proteases for preventing and treating thrombotis PHARMACIA CORPORATION 2003-09-23 US disclosed
US-20030139401-A9 SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL PYRIDINES USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE PHARMACIA CORPORATION 2003-07-24 US disclosed
US-20020198199-A1 Substituted polycyclic aryl and heteroaryl pyridines useful for selective inhibition of the coagulation cascade PHARMACIA CORPORATION 2002-12-26 US disclosed
US-20020169206-A1 Substituted biphenyl compounds for the treatment of inflammation G.D. SEARLE & CO. (US) 2002-11-14 US disclosed
WO-2002042272-A2 SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL PYRIDINES USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE PHARMACIA CORPORATION (US) 2002-05-30 WO disclosed
EP-0794942-B1 SUBSTITUTED BIPHENYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION SEARLE & CO (US) 2000-05-31 EP disclosed
US-5739166-A ALKYLSULFONYL OR AMINOSULFONYL SUBSTITUTED AROMATIC COMPOUNDS AS NON-STEROIDAL ANTIINFLAMMATORY AGENT G.D. SEARLE & CO. (US) 1998-04-14 US disclosed
EP-0794942-A1 SUBSTITUTED BIPHENYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1997-09-17 EP disclosed
WO-1996016934-A1 SUBSTITUTED BIPHENYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-06-06 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 (7 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-20020169206-A1 Substituted biphenyl compounds for the treatment of inflammation AHR, ARNT, GPBAR1 SLC6A4 2128/4885SLC6A3 1351/4885PTGS2 379/4885
US-20050197336-A1 Inhibitors of histone deacetylase HDAC1, HDAC11, HDAC10 SLC6A4 4572/4885SLC6A3 4673/4885PTGS2 2201/4885
US-20020198199-A1 Substituted polycyclic aryl and heteroaryl pyridines useful for selective inhibition of the coagulation cascade TFPI, F2, PLAT SLC6A4 4229/4885SLC6A3 4206/4885PTGS2 1042/4885
US-20100120761-A1 Bicyclic Heterocyclic Compounds as FGFR Inhibitors FGFR3, FGFR1, FGFR2 SLC6A4 4735/4885SLC6A3 4659/4885PTGS2 1800/4885
US-20050250784-A1 Inhibitors of histone deacetylase HDAC1, HDAC11, HDAC10 SLC6A4 4572/4885SLC6A3 4673/4885PTGS2 2201/4885
US-20200308129-A1 SUBSTITUTED AROMATIC AMINES FOR USE IN ORGANIC ELECTROLUMINESCENT DEVICES DDC, CHRM5, AFF2 SLC6A4 1118/4885SLC6A3 419/4885PTGS2 4487/4885
US-20030139401-A9 SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL PYRIDINES USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE TFPI, F2, PLAT SLC6A4 4229/4885SLC6A3 4206/4885PTGS2 1042/4885

“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.