SCHEMBL6987407

SCHEMBL6987407

COc1c(C(=O)O)cc(Br)c2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.56
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 1/20 0.51
HPGD P15428 1/20 0.51
SIGMAR1 Q99720 12/20 0.51
DRD3 P35462 6/20 0.51
DRD2 P14416 5/20 0.51
DRD4 P21917 4/20 0.49
MCL1 Q07820 1/20 0.49

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
SCHEMBL9109340 0.85 SIGMAR1 (0.50) SIGMAR1DRD3DRD2DRD4
SCHEMBL2131809 0.85 KDM4E (0.59) KDM4EALDH1A1HPGDSIGMAR1DRD3
SCHEMBL976330 0.81 KDM4E (0.57) HSD17B10KDM4EALDH1A1HPGD
SCHEMBL669832 0.81 THRB (0.61) HSD17B10KDM4EALDH1A1HPGDMCL1
SCHEMBL485446 0.80 KDM4E (0.47) HSD17B10KDM4EALDH1A1HPGDMCL1
SCHEMBL8967049 0.80 ALDH1A1 (0.60) HSD17B10KDM4EALDH1A1HPGDDRD3
SCHEMBL13255537 0.79 KDM4E (0.58) HSD17B10KDM4EALDH1A1HPGD
SCHEMBL14052308 0.79 LMNA (0.47) SIGMAR1DRD3DRD2DRD4
SCHEMBL2780177 0.79 KDM4E (0.58) HSD17B10KDM4EALDH1A1HPGDDRD3
SCHEMBL9978740 0.78 MCL1 (0.60) HSD17B10KDM4EALDH1A1HPGDMCL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2575454-B1 NAPHTHALENE CARBOXAMIDE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME (US) 2018-08-29 EP disclosed
US-9051296-B2 Aryl carboxamide derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2015-06-09 US disclosed
US-9051296-B2 Aryl carboxamide derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2015-06-09 US disclosed
US-8883850-B2 Naphthalene carboxamide M1 receptor positive allosteric modulators MERCK SHARP & DOHME CORP. (US) 2014-11-11 US disclosed
US-8586550-B2 Thiazole derivatives as SGLT2 inhibitors and pharmaceutical composition comprising same GREEN CROSS CORPORATION (KR) 2013-11-19 US disclosed
US-20130090298-A1 Thiazole Derivatives as SGLT2 Inhibitors and Pharmaceutical Composition Comprising Same GREEN CROSS CORPORATION (KR) 2013-04-11 US disclosed
EP-2575454-A1 NAPHTHALENE CARBOXAMIDE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS Merck Sharp & Dohme Corp. (US) 2013-04-10 EP disclosed
US-20130059860-A1 NAPHTHALENE CARBOXAMIDE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME LLC 2013-03-07 US disclosed
US-20120232052-A1 ARYL CARBOXAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2012-09-13 US disclosed
US-20120232052-A1 ARYL CARBOXAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2012-09-13 US disclosed
EP-0751939-B9 NAPHTHYLAMIDES AS CENTRAL NERVOUS SYSTEM AGENTS WARNER LAMBERT CO (US) 2003-01-02 EP disclosed
EP-0751939-B1 NAPHTHYLAMIDES AS CENTRAL NERVOUS SYSTEM AGENTS WARNER LAMBERT CO (US) 2002-06-12 EP disclosed
EP-0751939-A1 NAPHTHYLAMIDES AS CENTRAL NERVOUS SYSTEM AGENTS WARNER-LAMBERT COMPANY (US) 1997-01-08 EP disclosed
US-5498628-A ANTIPSYCHOTIC, PSYCHOSTIMULATORY, ANTIAUTISTIC, ANTIDEPRESSANT AND HYPOTENSIVE AGENTS, PARKINSON'S DISEASE INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (FR) 1996-03-12 US disclosed
EP-0585116-B1 1-Alkoxy-naphthalene-2-carboxamide derivatives with high affinity for the serotonin 5-HT1A receptor LILLY INDUSTRIES LTD (GB) 1996-02-28 EP disclosed
WO-1995025727-A1 NAPHTHYLAMIDES AS CENTRAL NERVOUS SYSTEM AGENTS WARNER-LAMBERT COMPANY (US) 1995-09-28 WO disclosed
WO-1995010504-A1 2-(1-ALKOXY-2-NAPHTHALENYL)-PYRROLE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS DOPAMINE D3 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1995-04-20 WO disclosed
US-5395835-A Antipsychotic agents WARNER-LAMBERT COMPANY (US) 1995-03-07 US disclosed
US-5389684-A Treats disorder of central nervous system LILLY INDUSTRIES LIMITED (GB) 1995-02-14 US disclosed
EP-0585116-A1 1-Alkoxy-naphthalene-2-carboxamide derivatives with high affinity for the serotonin 5-HT1A receptor LILLY INDUSTRIES LIMITED (GB) 1994-03-02 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 (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-20130090298-A1 Thiazole Derivatives as SGLT2 Inhibitors and Pharmaceutical Composition Comprising Same SLC5A2, SLC5A1, SLC10A2 HSD17B10 503/4885KDM4E 2710/4885ALDH1A1 1292/4885
US-20130059860-A1 NAPHTHALENE CARBOXAMIDE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS CHRM1, CNR1, OPRL1 HSD17B10 3699/4885KDM4E 1827/4885ALDH1A1 2660/4885
US-20120232052-A1 ARYL CARBOXAMIDE DERIVATIVES AS TTX-S BLOCKERS SCN1B, SCN1A, SCN2B HSD17B10 3409/4885KDM4E 1141/4885ALDH1A1 787/4885

“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.