SCHEMBL2131809

SCHEMBL2131809

COC(=O)c1cc(Br)c2ccccc2c1OC

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.59
ALDH1A1 P00352 1/20 0.59
HPGD P15428 1/20 0.59
NPSR1 Q6W5P4 1/20 0.59
SIGMAR1 Q99720 15/20 0.52
DRD3 P35462 4/20 0.50
DRD2 P14416 3/20 0.50
DRD4 P21917 2/20 0.50

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
SCHEMBL6987407 0.85 HSD17B10 (0.56) KDM4EALDH1A1HPGDSIGMAR1DRD3
SCHEMBL9109340 0.84 SIGMAR1 (0.50) SIGMAR1DRD3DRD2DRD4
SCHEMBL13345820 0.83 KDM4E (0.50) KDM4EALDH1A1HPGDNPSR1
SCHEMBL9091761 0.82 MEN1 (0.50) KDM4EALDH1A1HPGDNPSR1
SCHEMBL244414 0.82 KDM4E (0.45) KDM4EALDH1A1HPGDNPSR1
SCHEMBL3741758 0.82 KDM4E (0.60) KDM4EALDH1A1HPGDNPSR1
SCHEMBL16937088 0.81 SOS1 (0.48) KDM4EALDH1A1HPGDNPSR1
SCHEMBL1710126 0.81 ALDH1A1 (0.50) KDM4EALDH1A1HPGDNPSR1
SCHEMBL8966782 0.81 KDM4E (0.59) KDM4EALDH1A1HPGDNPSR1
SCHEMBL18566637 0.80 KDM4E (0.42) KDM4EALDH1A1HPGDNPSR1SIGMAR1

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 29 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-8883850-B2 Naphthalene carboxamide M1 receptor positive allosteric modulators MERCK SHARP & DOHME CORP. (US) 2014-11-11 US disclosed
US-8883850-B2 Naphthalene carboxamide M1 receptor positive allosteric modulators MERCK SHARP & DOHME CORP. (US) 2014-11-11 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-8586550-B2 Thiazole derivatives as SGLT2 inhibitors and pharmaceutical composition comprising same GREEN CROSS CORPORATION (KR) 2013-11-19 US disclosed
US-8541380-B2 C-aryl glucoside SGLT2 inhibitors and pharmaceutical compositions comprising same GREEN CROSS CORPORATION (KR) 2013-09-24 US disclosed
US-8541380-B2 C-aryl glucoside SGLT2 inhibitors and pharmaceutical compositions comprising same GREEN CROSS CORPORATION (KR) 2013-09-24 US disclosed
US-8541380-B2 C-aryl glucoside SGLT2 inhibitors and pharmaceutical compositions comprising same GREEN CROSS CORPORATION (KR) 2013-09-24 US disclosed
US-20130090298-A1 Thiazole Derivatives as SGLT2 Inhibitors and Pharmaceutical Composition Comprising Same GREEN CROSS CORPORATION (KR) 2013-04-11 US disclosed
WO-2011159067-A2 THIAZOLE DERIVATIVES AS SGLT2 INHIBITORS AND PHARMACEUTICAL COMPOSITION COMPRISING SAME GREEN CROSS CORPORATION (KR) 2011-12-22 WO disclosed
WO-2011159067-A2 THIAZOLE DERIVATIVES AS SGLT2 INHIBITORS AND PHARMACEUTICAL COMPOSITION COMPRISING SAME GREEN CROSS CORPORATION (KR) 2011-12-22 WO disclosed
WO-2011149801-A1 NAPHTHALENE CARBOXAMIDE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME CORP. (US) 2011-12-01 WO disclosed
WO-2011149801-A1 NAPHTHALENE CARBOXAMIDE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME CORP. (US) 2011-12-01 WO disclosed
WO-2010147430-A2 NOVEL C-ARYL GLUCOSIDE SGLT2 INHIBITORS AND PHARMACEUTICAL COMPOSITION COMPRISING SAME GREEN CROSS CORPORATION (KR) 2010-12-23 WO disclosed
WO-2010147430-A2 NOVEL C-ARYL GLUCOSIDE SGLT2 INHIBITORS AND PHARMACEUTICAL COMPOSITION COMPRISING SAME GREEN CROSS CORPORATION (KR) 2010-12-23 WO 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
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 (1 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 KDM4E 2710/4885ALDH1A1 1292/4885HPGD 2556/4885

“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.