SCHEMBL2645342

SCHEMBL2645342

NNc1nc2c(Oc3ccc(F)cc3)cc(Oc3cccnc3)cc2[nH]1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 3/20 0.42
FFAR4 Q5NUL3 2/20 0.41
CHEK2 O96017 1/20 0.38
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
LMNA P02545 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
TTBK1 Q5TCY1 1/20 0.37
TTBK2 Q6IQ55 1/20 0.37
LTA4H P09960 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
CDK1 P06493 2/20 0.35
S1PR2 O95136 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35

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 0.84 CYP19A1 (0.42) CYP19A1FFAR4CHEK2ALDH1A1SMN1; SMN2
SCHEMBL2645975 0.81 CYP19A1 (0.40) CYP19A1FFAR4CHEK2ALDH1A1SMN1; SMN2
SCHEMBL2645836 0.81 CHEK2 (0.42) CYP19A1FFAR4CHEK2ALDH1A1SMN1; SMN2
SCHEMBL2644282 0.80 CYP19A1 (0.38) CYP19A1FFAR4CHEK2ALDH1A1SMN1; SMN2
SCHEMBL2645941 0.80 FFAR4 (0.44) CYP19A1FFAR4CHEK2LMNATDP1
SCHEMBL2646501 0.80 CBFB (0.41) CYP19A1FFAR4CHEK2ALDH1A1SMN1; SMN2
SCHEMBL2644929 0.80 CHEK2 (0.41) CYP19A1FFAR4CHEK2ALDH1A1SMN1; SMN2
SCHEMBL2645922 0.79 CBFB (0.52) ALDH1A1SMN1; SMN2NPC1HPGDRAB9A
SCHEMBL2646787 0.78 CBFB (0.40) CYP19A1FFAR4CHEK2ALDH1A1SMN1; SMN2
SCHEMBL2644787 0.77 CYP19A1 (0.36) CYP19A1FFAR4CHEK2ALDH1A1SMN1; SMN2

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 1365/4885CHEK2 2611/4885

“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.