SCHEMBL2644935

SCHEMBL2644935

Nc1cc(F)c(Oc2cccnc2)cc1[N+](=O)[O-]

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.52
LMNA P02545 6/20 0.51
HTT P42858 3/20 0.51
MAPT P10636 9/20 0.46
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.42
SMN1; SMN2 Q16637 6/20 0.41
TDP1 Q9NUW8 2/20 0.41
RAB9A P51151 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
PPARD Q03181 1/20 0.39
HSPB1 P04792 1/20 0.39
CYP1A2 P05177 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL30166997 0.79 ALDH1A1 (0.60) ALDH1A1LMNAHTTMAPTKMT2A
SCHEMBL2030833 0.78 LMNA (0.50) ALDH1A1LMNAHTTSMN1; SMN2TDP1
SCHEMBL2644891 0.78 LMNA (0.62) ALDH1A1LMNAHTTMAPTKMT2A
SCHEMBL15820839 0.76 HSPB1 (0.59) ALDH1A1MAPTKMT2AMEN1SMN1; SMN2
SCHEMBL2643527 0.76 ALDH1A1 (0.50) ALDH1A1LMNAHTTMAPTKMT2A
SCHEMBL18956877 0.76 ALDH1A1 (0.59) ALDH1A1LMNAHTTMAPTKMT2A
SCHEMBL2646047 0.75 MAPT (0.39) ALDH1A1LMNAHTTMAPTKMT2A
SCHEMBL2644208 0.74 MAPT (0.43) ALDH1A1LMNAMAPTKMT2AMEN1
SCHEMBL2645865 0.73 PTPN1 (0.43) ALDH1A1LMNAMAPTKMT2AMEN1
SCHEMBL3550951 0.73 ALDH1A1 (0.44) ALDH1A1LMNAHTTMAPTKMT2A

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 ALDH1A1 1188/4885LMNA 3434/4885HTT 1433/4885

“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.