SCHEMBL1327895

SCHEMBL1327895

[c]1c(-c2cc3ccccc3s2)ccc2[nH]nnc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 2/20 0.37
▸ MAPKAPK2 P49137 3/20 0.34
▸ KCNH2 Q12809 2/20 0.34
▸ HSD17B1 P14061 1/20 0.34
▸ HSD17B2 P37059 1/20 0.34
▸ CYP19A1 P11511 1/20 0.34
▸ TNIK Q9UKE5 2/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ NQO1 P15559 1/20 0.33
▸ NQO2 P16083 1/20 0.33
▸ IKBKB O14920 1/20 0.32
▸ CHRM2 P08172 1/20 0.32
▸ CHRM4 P08173 1/20 0.32
▸ CHRM5 P08912 1/20 0.32
▸ CHRM1 P11229 1/20 0.32
▸ CHRM3 P20309 1/20 0.32
▸ GABRA5 P31644 1/20 0.32
▸ KDM1A O60341 1/20 0.32

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
SCHEMBL706413 0.76 ILK (0.46) APP
SCHEMBL2057021 0.71 KDM4E (0.36) —
SCHEMBL6045301 0.69 ALDH1A1 (0.43) —
SCHEMBL29013347 0.69 APP (0.42) APPMAPKAPK2HSD17B1HSD17B2CYP19A1
SCHEMBL5320905 0.67 NPC1 (0.50) —
SCHEMBL14358953 0.67 — —
SCHEMBL3850573 0.66 APP (0.44) APPKCNH2HSD17B1HSD17B2CYP19A1
SCHEMBL29732980 0.66 APP (0.63) APPHSD17B1HSD17B2CYP19A1CA1
SCHEMBL845603 0.66 APP (0.63) APPHSD17B1HSD17B2CYP19A1CA1
SCHEMBL5303342 0.65 ALDH1A1 (0.43) —

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2443124-A1 SUBSTITUTED -1,3,8-TRIAZASPIRO[4.5]DECANE-2,4-DIONES Merck Sharp & Dohme Corp. (US) 2012-04-25 — — EP disclosed
US-8058305-B2 Pyrrolidine derivatives as prostaglandin modulators MERCK SERONO SA (CH) 2011-11-15 — — US disclosed
WO-2010147776-A1 SUBSTITUTED -1,3,8-TRIAZASPIRO[4.5]DECANE-2,4-DIONES MERCK SHARP & DOHME CORP. (US) 2010-12-23 — — WO disclosed
US-7705052-B2 Sulfonamide derivatives for the treatment of diabetes MERCK SERONO SA (CH) 2010-04-27 — — US disclosed
US-20090292000-A1 PYRROLIDINE DERIVATIVES AS PROSTAGLANDIN MODULATORS LABORATOIRES SERONO S.A. (CH) 2009-11-26 — — US disclosed
US-20070043027-A1 Sulfonamide derivatives for the treatment of diabetes APPLIED RESERACH SYSTEMS ARS HOLDING N.V. (AN) 2007-02-22 — — US disclosed
EP-1725526-A2 METHOD FOR PREPARING PYRROLIDINE OXIMES Applied Research Systems ARS Holding N.V. (AN) 2006-11-29 — — EP disclosed
EP-1620402-A1 CYCLIC QUATERNARY AMINO DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS Celltech R & D Limited (GB) 2006-02-01 — — EP disclosed
WO-2005082848-A2 METHOD FOR PREPARING PYRROLIDINE OXIMES APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2005-09-09 — — WO disclosed
WO-2004094381-A1 CYCLIC QUATERNARY AMINO DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS CELLTECH R & D LIMITED (GB) 2004-11-04 — — WO 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-20070043027-A1 Sulfonamide derivatives for the treatment of diabetes CBR3, INSR, CS APP 4678/4885MAPKAPK2 3239/4885KCNH2 398/4885
US-20090292000-A1 PYRROLIDINE DERIVATIVES AS PROSTAGLANDIN MODULATORS PGF, PTGIS, PDE5A APP 2287/4885MAPKAPK2 2648/4885KCNH2 1976/4885

“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.

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