SCHEMBL2646752

SCHEMBL2646752

Fc1ccc(Oc2cc(Oc3cccnc3)cc3[nH]c(-c4ncns4)nc23)cc1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 1/20 0.36
CYP19A1 P11511 2/20 0.36
FFAR4 Q5NUL3 2/20 0.36
TTBK1 Q5TCY1 1/20 0.34
TTBK2 Q6IQ55 1/20 0.34
CBFB Q13951 1/20 0.34
LTA4H P09960 2/20 0.33
CYP11B1 P15538 1/20 0.33
LMNA P02545 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
DHODH Q02127 1/20 0.32
TRPA1 O75762 1/20 0.32
SCN9A Q15858 1/20 0.32
CHEK1 O14757 1/20 0.32
ALDH1A1 P00352 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL2645836 0.84 CHEK2 (0.42) CHEK2CYP19A1FFAR4TTBK1TTBK2
SCHEMBL2646787 0.83 CBFB (0.40) CHEK2CYP19A1FFAR4TTBK1TTBK2
SCHEMBL2646501 0.83 CBFB (0.41) CHEK2CYP19A1FFAR4CBFBLTA4H
SCHEMBL2644929 0.83 CHEK2 (0.41) CHEK2CYP19A1FFAR4TTBK1TTBK2
SCHEMBL2645922 0.82 CBFB (0.52) CBFBALDH1A1SMN1; SMN2
SCHEMBL2643874 0.79 CYP19A1 (0.42) CHEK2CYP19A1FFAR4TTBK1TTBK2
SCHEMBL2646329 0.79 CYP2E1 (0.38) CHEK2CYP19A1FFAR4TTBK1TTBK2
SCHEMBL2645624 0.79 CHEK2 (0.38) CHEK2CYP19A1FFAR4CBFBCYP11B1
SCHEMBL2645975 0.79 CYP19A1 (0.40) CHEK2CYP19A1FFAR4LTA4HCYP11B1
SCHEMBL2645371 0.79 CBFB (0.38) CHEK2CYP19A1FFAR4CBFBCYP11B1

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 CHEK2 2611/4885CYP19A1 3688/4885FFAR4 1365/4885

“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.