SCHEMBL387445

SCHEMBL387445

O=C(NCc1ccccc1)c1ccc(B(O)O)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.83
HDAC6 Q9UBN7 4/20 0.68
HDAC2 Q92769 2/20 0.68
HDAC8 Q9BY41 2/20 0.68
HPGD P15428 1/20 0.64
LMNA P02545 1/20 0.62
RAB9A P51151 1/20 0.62
HDAC1 Q13547 3/20 0.61
ROCK2 O75116 1/20 0.59
RPS6KA5 O75582 1/20 0.59
MAP4K4 O95819 1/20 0.59
PRKCG P05129 1/20 0.59
PRKACA P17612 1/20 0.59
RPS6KB1 P23443 1/20 0.59
MAPK1 P28482 1/20 0.59
AKT1 P31749 1/20 0.59
GSK3A P49840 1/20 0.59
GSK3B P49841 1/20 0.59
PRKX P51817 1/20 0.59
PRKCD Q05655 1/20 0.59

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
SCHEMBL17339425 0.93 TRPV1 (0.83) TRPV1HDAC6HDAC2HDAC8HPGD
SCHEMBL11900090 0.88 HDAC6 (0.85) HDAC6HDAC2HDAC8HPGDLMNA
SCHEMBL17339359 0.84 TRPV1 (0.69) TRPV1LMNAEPHX2POLB
SCHEMBL17339329 0.84 TRPV1 (0.69) TRPV1HDAC6HPGDLMNAHDAC1
SCHEMBL17339618 0.84 TRPV1 (0.69) TRPV1RAB9AEPHX2TSHR
SCHEMBL24689977 0.84 TRPV1 (0.69) TRPV1HDAC6HDAC2HDAC8HDAC1
SCHEMBL5784104 0.84 HDAC2 (0.69) TRPV1HDAC6HDAC2HDAC8RAB9A
SCHEMBL457082 0.84 HDAC6 (0.79) HDAC6HDAC2HDAC8HPGDLMNA
SCHEMBL177584 0.83 HDAC6 (0.66) TRPV1HDAC6HDAC2HDAC8HPGD
SCHEMBL29710273 0.83 HDAC6 (0.66) TRPV1HDAC6HDAC2HDAC8HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240254093-A1 GPR35 Agonist Compounds NXERA PHARMA UK LIMITED (GB) 2024-08-01 US disclosed
EP-4326708-A1 GPR35 AGONIST COMPOUNDS Heptares Therapeutics Limited (GB) 2024-02-28 EP disclosed
WO-2022224212-A1 GPR35 AGONIST COMPOUNDS HEPTARES THERAPEUTICS LIMITED (GB) 2022-10-27 WO disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-11306096-B2 4,6 dihydropyrrolo [3,4-C] pyrazole-5 (1H)-carbonitrile derivates for treating cancer MISSION THERAPEUTICS LIMITED (GB) 2022-04-19 US disclosed
US-9555022-B2 Substituted triazolopyridines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2017-01-31 US disclosed
US-20150344503-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE, METHODS OF TREATMENT AND METHODS OF PREPARING SAME INFINITY PHARMACEUTICALS INC (US) 2015-12-03 US disclosed
US-20150344503-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE, METHODS OF TREATMENT AND METHODS OF PREPARING SAME INFINITY PHARMACEUTICALS INC (US) 2015-12-03 US disclosed
US-9108989-B2 Inhibitors of fatty acid amide hydrolase INFINITY PHARMACEUTICALS, INC. (US) 2015-08-18 US disclosed
US-20140121183-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE INFINITY PHARMACEUTICALS, INC. (US) 2014-05-01 US disclosed
US-20110224171-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE INFINITY DISCOVERY, INC. 2011-09-15 US disclosed
EP-2325182-A1 Bicyclic compounds and use as antidiabetics Glaxosmithkline LLC (US) 2011-05-25 EP disclosed
US-7947663-B2 Inhibitors of fatty acid amide hydrolase INFINITY PHARMACEUTICALS, INC. (US) 2011-05-24 US disclosed
US-20100029650-A1 BICYCLIC COMPOUNDS AND USE AS ANTIDIABETICS SMITH KLINE BEECHAM CORPORATION a corporation 2010-02-04 US disclosed
EP-2094683-A2 BICYCLIC COMPOUNDS AND USE AS ANTIDIABETICS SmithKline Beecham Corporation (US) 2009-09-02 EP disclosed
US-20090099131-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE INFINITY DISCOVERY, INC. (US) 2009-04-16 US disclosed
WO-2008070692-A2 BICYCLIC COMPOUNDS AND USE AS ANTIDIABETICS SMITHKLINE BEECHAM CORPORATION (US) 2008-06-12 WO disclosed
US-20070208053-A1 Fused heterobicyclic kinase inhibitors OSI PHARMACEUTICALS, INC. 2007-09-06 US disclosed
US-6919382-B2 Preparation and uses of conjugated solid supports for boronic acids THE GOVERNORS OF THE UNIVERSITY OF ALBERTA (CA) 2005-07-19 US disclosed
US-20030044840-A1 Preparation and uses of conjugated solid supports for boronic acids GOVERNORS OF THE UNIVERSITY OF ALBERTA, THE (CA) 2003-03-06 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 (9 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-20240254093-A1 GPR35 Agonist Compounds GPR35, GPR119, GPR68 TRPV1 135/4885HDAC6 1304/4885HDAC2 1888/4885
US-20110224171-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE FAAH, FAAH2, ASAH1 TRPV1 432/4885HDAC6 280/4885HDAC2 339/4885
US-11306096-B2 4,6 dihydropyrrolo [3,4-C] pyrazole-5 (1H)-carbonitrile derivates for treating cancer USP7, USP1, USP3 TRPV1 4615/4885HDAC6 168/4885HDAC2 365/4885
US-20090099131-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE FAAH, FAAH2, ASAH1 TRPV1 432/4885HDAC6 280/4885HDAC2 339/4885
US-20150344503-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE, METHODS OF TREATMENT AND METHODS OF PREPARING SAME FAAH, FAAH2, ASAH1 TRPV1 755/4885HDAC6 419/4885HDAC2 408/4885
US-20030044840-A1 Preparation and uses of conjugated solid supports for boronic acids SLC43A1, SBDS, SLC7A5 TRPV1 4144/4885HDAC6 3430/4885HDAC2 3467/4885
US-20140121183-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE FAAH, FAAH2, ASAH1 TRPV1 432/4885HDAC6 280/4885HDAC2 339/4885
US-20070208053-A1 Fused heterobicyclic kinase inhibitors MAP2K5, MAP2K7, MAP2K2 TRPV1 3508/4885HDAC6 2005/4885HDAC2 835/4885
US-20100029650-A1 BICYCLIC COMPOUNDS AND USE AS ANTIDIABETICS GPR119, GOT2, PC TRPV1 2887/4885HDAC6 897/4885HDAC2 353/4885

“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.