SCHEMBL2645941

SCHEMBL2645941

CS(=O)(=O)c1nc2c(Oc3ccc(F)cc3)cc(Oc3cccnc3)cc2[nH]1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 2/20 0.44
CYP19A1 P11511 2/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
BRD4 O60885 1/20 0.37
CHEK2 O96017 1/20 0.37
LMNA P02545 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
S1PR2 O95136 1/20 0.36
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35
HTT P42858 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
LTA4H P09960 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL2643874 0.82 CYP19A1 (0.42) FFAR4CYP19A1CA12CA1CA2
SCHEMBL2645975 0.82 CYP19A1 (0.40) FFAR4CYP19A1CHEK2LMNATDP1
SCHEMBL2645342 0.80 CYP19A1 (0.42) FFAR4CYP19A1CA12CA1CA2
SCHEMBL2645836 0.80 CHEK2 (0.42) FFAR4CYP19A1CHEK2LMNATDP1
SCHEMBL2644282 0.78 CYP19A1 (0.38) FFAR4CYP19A1CHEK2LMNATDP1
SCHEMBL2646501 0.78 CBFB (0.41) FFAR4CYP19A1CHEK2LMNATDP1
SCHEMBL2644929 0.78 CHEK2 (0.41) FFAR4CYP19A1CHEK2LMNATDP1
SCHEMBL2645922 0.77 CBFB (0.52) CYP2C19
SCHEMBL2646787 0.77 CBFB (0.40) FFAR4CYP19A1CHEK2LMNATDP1
SCHEMBL2645624 0.76 CHEK2 (0.38) FFAR4CYP19A1CHEK2LMNATDP1

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
EP-1702919-B1 NOVEL 2-HETEROARYL-SUBSTITUTED BENZIMIDAZOLE DERIVATIVE MSD KK (JP) 2012-05-30 EP disclosed
US-7728025-B2 2-heteroaryl-substituted benzimidazole derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-06-01 US disclosed
US-20080070928-A1 Novel 2-Heteroaryl-Substituted Benzimidazole Derivative MSD K.K. (JP) 2008-03-20 US disclosed
EP-1702919-A1 NOVEL 2-HETEROARYL-SUBSTITUTED BENZIMIDAZOLE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-09-20 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-20080070928-A1 Novel 2-Heteroaryl-Substituted Benzimidazole Derivative GCK, GCKR, HK1 FFAR4 1365/4885CYP19A1 3688/4885CA12 3942/4885

“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.