SCHEMBL721446

SCHEMBL721446

COC(=O)c1cc2c(F)cccc2s1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.57
SLC9A1 P19634 7/20 0.56
ALDH1A1 P00352 3/20 0.55
POLB P06746 1/20 0.55
RPS6KB1 P23443 1/20 0.54
CSNK1D P48730 1/20 0.54
GSK3A P49840 1/20 0.54
GSK3B P49841 1/20 0.54
DYRK1A Q13627 1/20 0.54
NTRK2 Q16620 1/20 0.54
AURKB Q96GD4 1/20 0.54
HDAC3 O15379 2/20 0.52
HDAC4 P56524 2/20 0.52
HDAC1 Q13547 2/20 0.52
HDAC7 Q8WUI4 2/20 0.52
HDAC2 Q92769 2/20 0.52
HDAC10 Q969S8 2/20 0.52
HDAC11 Q96DB2 2/20 0.52
HDAC8 Q9BY41 2/20 0.52
HDAC6 Q9UBN7 2/20 0.52

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
SCHEMBL828732 0.89 SLC9A1 (0.62) L3MBTL1SLC9A1ALDH1A1POLBRPS6KB1
SCHEMBL829919 0.87 SLC9A1 (0.62) L3MBTL1SLC9A1ALDH1A1POLBRPS6KB1
SCHEMBL5584284 0.84 HDAC3 (0.52) L3MBTL1SLC9A1ALDH1A1POLBRPS6KB1
SCHEMBL15698911 0.84 HDAC3 (0.52) L3MBTL1SLC9A1ALDH1A1POLBRPS6KB1
SCHEMBL806489 0.84 SLC9A1 (0.58) L3MBTL1SLC9A1ALDH1A1POLBRPS6KB1
SCHEMBL18264031 0.83 ALDH1A1 (0.54) L3MBTL1SLC9A1ALDH1A1POLBHDAC3
SCHEMBL13736044 0.83 SLC9A1 (0.59) L3MBTL1SLC9A1ALDH1A1POLBRPS6KB1
SCHEMBL2893037 0.83 SLC9A1 (0.62) L3MBTL1SLC9A1ALDH1A1POLBCSNK1D
SCHEMBL829725 0.83 SLC9A1 (0.56) L3MBTL1SLC9A1ALDH1A1POLBRPS6KB1
SCHEMBL29749445 0.83 SLC9A1 (0.57) SLC9A1ALDH1A1POLBRPS6KB1CSNK1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9090639-B2 Cold menthol receptor-1 antagonists JANSSEN PHARMACEUTICA N.V. (BE) 2015-07-28 US disclosed
US-9090639-B2 Cold menthol receptor-1 antagonists JANSSEN PHARMACEUTICA N.V. (BE) 2015-07-28 US disclosed
US-9090639-B2 Cold menthol receptor-1 antagonists JANSSEN PHARMACEUTICA N.V. (BE) 2015-07-28 US disclosed
US-8884017-B2 2-heteroarylcarboxylic acid amides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-11-11 US disclosed
US-8884017-B2 2-heteroarylcarboxylic acid amides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-11-11 US disclosed
US-8884017-B2 2-heteroarylcarboxylic acid amides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-11-11 US disclosed
US-20140100194-A1 COLD MENTHOL RECEPTOR-1 ANTAGONISTS JANSSEN PHARMACEUTICA, NV (BE) 2014-04-10 US disclosed
US-8629281-B2 Cold menthol receptor-1 antagonists JANSSEN PHARMACEUTICA, NV (BE) 2014-01-14 US disclosed
US-8629281-B2 Cold menthol receptor-1 antagonists JANSSEN PHARMACEUTICA, NV (BE) 2014-01-14 US disclosed
US-8629281-B2 Cold menthol receptor-1 antagonists JANSSEN PHARMACEUTICA, NV (BE) 2014-01-14 US disclosed
WO-2007134107-A2 COLD MENTHOL RECEPTOR-1 ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2007-11-22 WO disclosed
EP-1831192-A1 BENZOTHIOPHEN-2-CARBONYLGUANIDINE DERIVATIVES, PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME Korea Research Institute of Chemical Technology (KR) 2007-09-12 EP disclosed
EP-1461335-B1 2-HETEROARYLCARBOXYLIC ACID AMIDES BAYER HEALTHCARE AG (DE) 2007-02-28 EP disclosed
WO-2006071047-A1 BENZOTHIOPHEN-2-CARBONYLGUANIDINE DERIVATIVES, PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2006-07-06 WO disclosed
US-20050119325-A1 N-(1-azabicyclo[2.2.2]oct-3-yl)-heteroaryl carboxamides; alpha 7-nicotinic acetylcholine receptors (nAChR) agonists; improving perception, concentration, learning and memory; neuropathic pain; acute and chronic pain FMR LLC 2005-06-02 US disclosed
EP-1187836-A1 SUBSTITUTED IMIDAZOTHIAZOLES AS ANTIDEPRESSANT AGENTS Knoll GmbH (DE) 2002-03-20 EP disclosed
WO-2000071548-A1 SUBSTITUTED IMIDAZOTHIAZOLES AS ANTIDEPRESSANT AGENTS KNOLL GMBH (DE) 2000-11-30 WO disclosed
US-5863936-A HETEROCYCLIC ENZYME INHIBITORS AS ANTICANCER AGENTS GERON CORPORATION (US) 1999-01-26 US disclosed
US-5340833-A Antiarthritic, antiinflammatory, antitumor agents EISAI CO., LTD. (JP) 1994-08-23 US disclosed
EP-0568289-A2 Benzothiophenes and thienothiophenes and related compounds useful, for example, as urokinase inhibitors Eisai Co., Ltd. (JP) 1993-11-03 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 (2 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-20050119325-A1 N-(1-azabicyclo[2.2.2]oct-3-yl)-heteroaryl carboxamides; alpha 7-nicotinic acetylcholine receptors (nAChR) agonists; improving perception, concentration, learning and memory; neuropathic pain; acute and chronic pain CHRNA2, CHRNA7, CHRNA3 L3MBTL1 3340/4885SLC9A1 2165/4885ALDH1A1 2223/4885
US-20140100194-A1 COLD MENTHOL RECEPTOR-1 ANTAGONISTS TRPM8, TRPM5, TRPM7 L3MBTL1 4094/4885SLC9A1 530/4885ALDH1A1 1372/4885

“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.