SCHEMBL2643874

SCHEMBL2643874

Fc1ccc(Oc2cc(Oc3cccnc3)cc3[nH]c(S)nc23)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 3/20 0.42
FFAR4 Q5NUL3 3/20 0.41
LMNA P02545 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
LTA4H P09960 1/20 0.38
CHEK2 O96017 1/20 0.37
ALDH1A1 P00352 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HTT P42858 1/20 0.36
NPC1 O15118 1/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
RAB9A P51151 1/20 0.35
S1PR2 O95136 1/20 0.35
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
TTBK1 Q5TCY1 1/20 0.34
TTBK2 Q6IQ55 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
SCHEMBL2645975 0.84 CYP19A1 (0.40) CYP19A1FFAR4LMNATDP1LTA4H
SCHEMBL2645342 0.84 CYP19A1 (0.42) CYP19A1FFAR4LMNATDP1LTA4H
SCHEMBL2645836 0.84 CHEK2 (0.42) CYP19A1FFAR4LMNATDP1LTA4H
SCHEMBL2645941 0.82 FFAR4 (0.44) CYP19A1FFAR4LMNATDP1LTA4H
SCHEMBL2644929 0.82 CHEK2 (0.41) CYP19A1FFAR4LMNATDP1LTA4H
SCHEMBL2646501 0.82 CBFB (0.41) CYP19A1FFAR4LMNATDP1LTA4H
SCHEMBL2644282 0.82 CYP19A1 (0.38) CYP19A1FFAR4LMNATDP1LTA4H
SCHEMBL2645922 0.81 CBFB (0.52) ALDH1A1SMN1; SMN2NPC1HPGDRAB9A
SCHEMBL2646787 0.81 CBFB (0.40) CYP19A1FFAR4LMNATDP1LTA4H
SCHEMBL2644787 0.80 CYP19A1 (0.36) CYP19A1FFAR4LMNATDP1LTA4H

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 CYP19A1 3688/4885FFAR4 1365/4885LMNA 3434/4885

“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.