SCHEMBL2643872

SCHEMBL2643872

N#Cc1ccccc1Oc1cc(F)cc(N)c1[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 1/20 0.43
SLC22A12 Q96S37 9/20 0.42
FFAR4 Q5NUL3 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.38
MAPT P10636 1/20 0.38
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
HSPB1 P04792 2/20 0.36
MAP4K4 O95819 1/20 0.34
SCN9A Q15858 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
SCHEMBL2646859 0.80 L3MBTL1 (0.54) PIN1SMN1; SMN2MAPTPOLBHSPB1
SCHEMBL2645951 0.79 PIN1 (0.47) PIN1SLC22A12MAPTPOLBGAA
SCHEMBL5943918 0.78 MEN1 (0.47) SMN1; SMN2MAPTHSPB1
SCHEMBL27546530 0.78 SLC22A12 (0.45) SLC22A12FFAR4MAPTPOLBGAA
SCHEMBL2644512 0.76 LPAR1 (0.40) PIN1SLC22A12MAPT
SCHEMBL2646298 0.73 LMNA (0.38) PIN1MAPTPOLB
SCHEMBL9132057 0.73 HPGD (0.58) PIN1SMN1; SMN2POLBGAAHSPB1
SCHEMBL16052765 0.73 HTT (0.50) SMN1; SMN2MAPTPOLB
SCHEMBL9131619 0.70 GAA (0.53) SMN1; SMN2MAPTPOLBGAAMAP4K4
SCHEMBL7054403 0.70 GAA (0.64) PIN1SLC22A12SMN1; SMN2POLBGAA

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 4516/4885SLC22A12 856/4885FFAR4 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.