SCHEMBL4279062

SCHEMBL4279062

O=C(O)c1sc(Nc2cc(Cl)c(F)cc2[N+](=O)[O-])cc1OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSV O60911 6/20 0.52
CTSL P07711 6/20 0.52
CYP19A1 P11511 4/20 0.41
PPIA P62937 1/20 0.39
MYC P01106 1/20 0.39
MAX P61244 1/20 0.39
CHRM4 P08173 1/20 0.38
CHRM3 P20309 1/20 0.38
CLCN2 P51788 1/20 0.38
MRGPRX4 Q96LA9 1/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
PLK1 P53350 1/20 0.37

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
SCHEMBL4279066 1.00 CTSV (0.52) CTSVCTSLCYP19A1PPIAMYC
SCHEMBL3249526 0.92 CTSV (0.47) CTSVCTSLCYP19A1PPIAMYC
SCHEMBL3607727 0.82 CTSV (0.48) CTSVCTSLCYP19A1PPIAMYC
SCHEMBL3607732 0.82 CTSV (0.48) CTSVCTSLCYP19A1PPIAMYC
SCHEMBL13462812 0.79 CTSV (0.43) CTSVCTSLMEN1MAPTKMT2A
SCHEMBL3256473 0.74 LRRK2 (0.47) CTSVCTSLCYP19A1MYCMAX
SCHEMBL3256470 0.74 LRRK2 (0.47) CTSVCTSLCYP19A1MYCMAX
SCHEMBL3255304 0.74 CTSV (0.44) CTSVCTSLCYP19A1PPIAMYC
SCHEMBL5008916 0.73 ALDH1A1 (0.38) CTSVCTSLCYP19A1MYCMAX
SCHEMBL5008912 0.73 ALDH1A1 (0.38) CTSVCTSLCYP19A1MYCMAX

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7615643-B2 3-[((1R)-1-{2-Chloro-3-[(1-methyl-4-piperidinyl)oxy]phenyl}ethyl)oxy]-5-[5-(1-methyl-1H-pyrazol-4-yl)-1H-benzimidazol-1-yl]-2-thiophenecarboxamide; polo like kinase enzyme inhibitors; anticarcinogenic agents for treating cancer SMITHKLINE BEECHAM CORPORATION (US) 2009-11-10 US disclosed
US-20090124615-A9 Benzimidazole Thiophene Compounds KUNTZ KEVIN 2009-05-14 US disclosed
US-20080300247-A1 Benzimidazole Thiophene Compounds KUNTZ KEVIN 2008-12-04 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 (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-20090124615-A9 Benzimidazole Thiophene Compounds ABCB1, CYP3A5, ABCG2 CTSV 1741/4885CTSL 2218/4885CYP19A1 1755/4885
US-20080300247-A1 Benzimidazole Thiophene Compounds ABCB1, CYP3A5, ABCG2 CTSV 1741/4885CTSL 2218/4885CYP19A1 1755/4885

“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.