SCHEMBL3098304

SCHEMBL3098304

Cc1ccc(F)c(C(C)Oc2ccc3nc(N)sc3c2)c1F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 6/20 0.50
CYP1A2 P05177 2/20 0.50
CYP2C19 P33261 1/20 0.50
RAB9A P51151 6/20 0.47
SMN1; SMN2 Q16637 6/20 0.47
NPC1 O15118 5/20 0.47
TP53 P04637 4/20 0.47
SCN4A P35499 3/20 0.47
HSD17B10 Q99714 2/20 0.47
LMNA P02545 2/20 0.47
ALDH1A1 P00352 2/20 0.47
TSHR P16473 2/20 0.47
GMNN O75496 1/20 0.47
USP2 O75604 1/20 0.47
ADORA3 P0DMS8 1/20 0.47
GAA P10253 1/20 0.47
CYP2C9 P11712 1/20 0.47
PKM P14618 1/20 0.47
ALOX15 P16050 1/20 0.47
NFKB1 P19838 1/20 0.47

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
SCHEMBL3107120 0.92 CYP3A4 (0.53) CYP3A4CYP1A2CYP2C19RAB9ASMN1; SMN2
SCHEMBL3093043 0.89 CYP3A4 (0.48) CYP3A4CYP1A2CYP2C19RAB9ASMN1; SMN2
SCHEMBL3112523 0.88 CYP3A4 (0.49) CYP3A4CYP1A2CYP2C19RAB9ASMN1; SMN2
SCHEMBL3099104 0.86 CYP3A4 (0.55) CYP3A4CYP1A2CYP2C19RAB9ASMN1; SMN2
SCHEMBL3104578 0.83 MET (0.49) CYP3A4CYP1A2CYP2C19RAB9ASMN1; SMN2
SCHEMBL3651833 0.82 ATAD2 (0.50) CYP3A4CYP1A2CYP2C19RAB9ASMN1; SMN2
SCHEMBL3094263 0.81 MET (0.60) CYP3A4CYP1A2CYP2C19AXLCYP2D6
SCHEMBL3112485 0.80 APP (0.44) RAB9ANPC1TP53ALDH1A1GAA
SCHEMBL3099739 0.77 CYP3A4 (0.56) CYP3A4CYP1A2CYP2C19RAB9ASMN1; SMN2
SCHEMBL3112476 0.77 DYRK1A (0.41) RAB9ANPC1TP53LMNAMAPT

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 4 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
EP-2205568-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) 2010-07-14 EP disclosed
WO-2009087305-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) 2009-07-16 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 (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 CYP3A4 324/4885CYP1A2 935/4885CYP2C19 182/4885

“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.