SCHEMBL1041307

SCHEMBL1041307

O=c1c[c]c2ccccc2o1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.43
CA1 P00915 2/20 0.43
CA9 Q16790 2/20 0.43
LMNA P02545 2/20 0.43
CA2 P00918 1/20 0.43
CA3 P07451 1/20 0.43
CA4 P22748 1/20 0.43
CA6 P23280 1/20 0.43
CA5A P35218 1/20 0.43
CA7 P43166 1/20 0.43
MCL1 Q07820 1/20 0.43
SOST Q9BQB4 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
CA14 Q9ULX7 1/20 0.43
CA5B Q9Y2D0 1/20 0.43
NQO1 P15559 1/20 0.39
ALDH1A1 P00352 4/20 0.37
HPGD P15428 4/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
MAOA P21397 2/20 0.37

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
SCHEMBL157615 0.72 CA12 (0.47) CA12CA1CA9LMNACA2
SCHEMBL5203164 0.72 PGR (0.41) CA12CA1CA9LMNACA2
SCHEMBL1490915 0.72 CA12 (0.52) CA12CA1CA9LMNACA2
SCHEMBL5206649 0.72 PGR (0.38) CA12CA1CA9LMNACA2
SCHEMBL5205733 0.69 ALDH1A1 (0.38) CA12CA1CA9LMNACA2
SCHEMBL961967 0.69 KDM4E (0.56) CA12CA1CA9LMNACA2
SCHEMBL453408 0.67 HPGD (0.38) CA12CA1CA9LMNACA2
SCHEMBL1385840 0.64 KDM4E (0.35) CA12CA1CA9LMNACA2
SCHEMBL8632474 0.63 MCL1 (0.51) CA12CA1CA9LMNACA3
SCHEMBL8394661 0.62

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4165033-A1 SHP2 INHIBITORS, COMPOSITIONS AND USES THEREOF Betta Pharmaceuticals Co., Ltd (CN) 2023-04-19 EP claimed
WO-2021249449-A1 SHP2 INHIBITORS, COMPOSITIONS AND USES THEREOF BETTA PHARMACEUTICALS CO., LTD (CN) 2021-12-16 WO claimed
US-9174960-B2 Compounds useful against kinetoplastideae parasites CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2015-11-03 US claimed
US-20140171455-A1 Reduction of Microglia-Mediated Neurotoxicity by Kv1.3 Inhibition THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-06-19 US claimed
EP-2717871-A2 REDUCTION OF MICROGLIA-MEDIATED NEUROTOXICITY BY KV1.3 INHIBITION The Regents of the University of California (US) 2014-04-16 EP claimed
WO-2012170917-A2 REDUCTION OF MICROGLIA-MEDIATED NEUROTOXICITY BY KV1.3 INHIBITION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-12-13 WO claimed
US-20120214996-A1 COMPOUNDS USEFUL AGAINST KINETOPLASTIDEAE PARASITES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2012-08-23 US claimed
EP-2477698-A2 COMPOUNDS USEFUL AGAINST KINETOPLASTIDEAE PARASITES Centre National de la Recherche Scientifique (FR) 2012-07-25 EP claimed
US-7994323-B2 Chromen-2-one derivatives NEUROSEARCH A/S (DK) 2011-08-09 US claimed
EP-2158200-B1 NOVEL CHROMEN-2-ONE DERIVATIVES NEUROSEARCH AS (DK) 2011-07-13 EP claimed
US-20100217002-A1 NOVEL CHROMEN-2-ONE DERIVATIVES NEUROSEARCH A/S (DK) 2010-08-26 US claimed
EP-2158200-A1 NOVEL CHROMEN-2-ONE DERIVATIVES NeuroSearch A/S (DK) 2010-03-03 EP claimed
WO-2008138854-A1 NOVEL CHROMEN-2-ONE DERIVATIVES NEUROSEARCH A/S (DK) 2008-11-20 WO claimed
EP-0998474-B1 PIPERAZINE DERIVATIVES MERCK PATENT GMBH (DE) 2007-02-07 EP claimed
WO-2006098624-A2 ANTI-VIRAL USE OF A COUMARIN AGENT RADEMAKER HOLDING B.V. (NL) 2006-09-21 WO claimed
WO-2006098620-A1 USE OF DERIVATIVES COMPRISING A COUMARIN GROUP FOR THE PREPARATION OF AN ANTIVIRAL AGENT, DERIVATIVES COMPRISING A COUMARIN GROUP, A METHOD FOR THE PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM RADEMAKER HOLDING B.V. (NL) 2006-09-21 WO claimed
EP-0853628-B1 PHOTOLABILE 8-SUBSTITUTED CYCLIC NUCLEOTIDE ESTERS, METHODS OF PREPARING THEM AND THEIR USE FORSCHUNGSVERBUND BERLIN EV (DE) 2002-10-02 EP claimed
US-6251908-B1 Piperazine derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 2001-06-26 US claimed
EP-0998474-A1 PIPERAZINE DERIVATIVES MERCK PATENT GmbH (DE) 2000-05-10 EP claimed
WO-1999003855-A1 PIPERAZINE DERIVATIVES MERCK PATENT GMBH (DE) 1999-01-28 WO claimed

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-20140171455-A1 Reduction of Microglia-Mediated Neurotoxicity by Kv1.3 Inhibition KCNMA1, KCNN1, KCNN3 CA12 1272/4885CA1 58/4885CA9 2983/4885
US-20120214996-A1 COMPOUNDS USEFUL AGAINST KINETOPLASTIDEAE PARASITES TST, PDXK, TBCB CA12 4875/4885CA1 4879/4885CA9 4862/4885
US-20100217002-A1 NOVEL CHROMEN-2-ONE DERIVATIVES CBX2, CYP2J2, CDYL2 CA12 1775/4885CA1 4334/4885CA9 4022/4885

“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.