SCHEMBL2645951

SCHEMBL2645951

N#Cc1ccccc1Oc1cc(N)c([N+](=O)[O-])cc1F

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 1/20 0.47
HSPB1 P04792 3/20 0.43
MAPT P10636 1/20 0.39
SLC22A12 Q96S37 1/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
F2 P00734 1/20 0.38
EZH2 Q15910 1/20 0.37
CUL4A Q13619 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
POLB P06746 1/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
VCAM1 P19320 1/20 0.37
MERTK Q12866 1/20 0.36

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
SCHEMBL2645201 0.81 HSPB1 (0.45) PIN1HSPB1MAPTSLC22A12MEN1
SCHEMBL15820839 0.79 HSPB1 (0.59) PIN1HSPB1MAPTMEN1KMT2A
SCHEMBL2643872 0.79 PIN1 (0.43) PIN1HSPB1MAPTSLC22A12POLB
SCHEMBL9132057 0.78 HPGD (0.58) PIN1HSPB1MEN1KMT2AF2
SCHEMBL458453 0.73 VCAM1 (0.44) MAPTMEN1KMT2AL3MBTL1POLB
SCHEMBL2644525 0.73 PIN1 (0.48) PIN1MAPTSLC22A12POLBGAA
SCHEMBL7025384 0.72 SLC22A12 (0.41) PIN1SLC22A12EZH2POLBGAA
SCHEMBL27546530 0.71 SLC22A12 (0.45) MAPTSLC22A12EZH2POLBGAA
SCHEMBL2313882 0.70 HTT (0.49) MAPTMEN1KMT2AL3MBTL1POLB
SCHEMBL4374421 0.70 AR (0.55) HSPB1SLC22A12EZH2POLBGAA

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 PIN1 4516/4885HSPB1 3024/4885MAPT 3676/4885

“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.