SCHEMBL3093399

SCHEMBL3093399

NC(=O)Oc1ccccc1-c1nc2ccc(OCc3c(F)cccc3F)cc2s1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.42
FFAR1 O14842 1/20 0.41
PPARD Q03181 1/20 0.41
PPARA Q07869 1/20 0.41
CYP3A4 P08684 2/20 0.40
PPARG P37231 2/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
NPC1 O15118 3/20 0.39
NR1H4 Q96RI1 1/20 0.39
RAB9A P51151 3/20 0.38
MAPT P10636 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
POLB P06746 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38

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
SCHEMBL3098700 0.94 NR1H4 (0.43) DYRK1AFFAR1PPARDPPARANPC1
SCHEMBL3093456 0.89 NR1H4 (0.46) DYRK1ACYP3A4CA12CA1CA2
SCHEMBL3093410 0.85 APP (0.46) FFAR1PPARDPPARACYP3A4CA12
SCHEMBL3104751 0.82 DYRK1A (0.43) DYRK1ACA2NPC1RAB9AMAPT
SCHEMBL3098705 0.79 NR1H4 (0.48) FFAR1PPARDPPARANPC1NR1H4
SCHEMBL3109612 0.79 DYRK1A (0.39) DYRK1AFFAR1PPARDPPARARAB9A
SCHEMBL3109071 0.79 DYRK1A (0.41) DYRK1AFFAR1CYP3A4PPARGCA12
SCHEMBL3105185 0.77 DYRK1A (0.42) DYRK1ACA2NPC1RAB9AMAPT
SCHEMBL3110149 0.76 DYRK1A (0.43) DYRK1ACA2NPC1RAB9AMAPT
SCHEMBL3104387 0.75 DYRK1A (0.46) DYRK1ACA2MAPTKMT2ARXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8188078-B2 6-aryl/heteroalkyloxy benzothiazole and benzimidazole derivatives, method for preparing same, application thereof as drugs, pharmaceutical compositions and novel use in particular as C-MET inhibitors SANOFI-AVENTIS (FR) 2012-05-29 US disclosed
US-20100273793-A1 6-ARYL/HETEROALKYLOXY BENZOTHIAZOLE AND BENZIMIDAZOLE DERIVATIVES, METHOD FOR PREPARING SAME, APPLICATION THEREOF AS DRUGS, PHARMACEUTICAL COMPOSITIONS AND NOVEL USE IN PARTICULAR AS c-MET INHIBITORS SANOFI-AVENTIS (FR) 2010-10-28 US 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-20100273793-A1 6-ARYL/HETEROALKYLOXY BENZOTHIAZOLE AND BENZIMIDAZOLE DERIVATIVES, METHOD FOR PREPARING SAME, APPLICATION THEREOF AS DRUGS, PHARMACEUTICAL COMPOSITIONS AND NOVEL USE IN PARTICULAR AS c-MET INHIBITORS MET, ALK, JAK2 DYRK1A 979/4885FFAR1 817/4885PPARD 2611/4885

“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.