SCHEMBL2643527

SCHEMBL2643527

Nc1c([N+](=O)[O-])cc(Oc2cccnc2)c(Cl)c1Oc1cccnc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.50
LMNA P02545 6/20 0.49
HTT P42858 2/20 0.49
KMT2A Q03164 4/20 0.47
TDP1 Q9NUW8 3/20 0.47
MEN1 O00255 3/20 0.47
TTR P02766 1/20 0.47
ALB P02768 1/20 0.47
THRB P10828 1/20 0.47
MAPT P10636 9/20 0.42
SMN1; SMN2 Q16637 5/20 0.42
PDE7A Q13946 1/20 0.39
RAB9A P51151 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CYP1A2 P05177 2/20 0.37
CYP2C9 P11712 2/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
CYP19A1 P11511 1/20 0.37

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
SCHEMBL2645096 0.83 KMT2A (0.51) ALDH1A1LMNAHTTKMT2ATDP1
SCHEMBL2647377 0.81 LMNA (0.46) ALDH1A1LMNAHTTTDP1MAPT
SCHEMBL7395609 0.76 PDE7A (0.59) ALDH1A1LMNAHTTKMT2ATDP1
SCHEMBL2644935 0.76 ALDH1A1 (0.52) ALDH1A1LMNAHTTKMT2ATDP1
SCHEMBL18956877 0.74 ALDH1A1 (0.59) ALDH1A1LMNAHTTKMT2ATDP1
SCHEMBL29527091 0.73 LMNA (0.69) ALDH1A1LMNAHTTKMT2ATDP1
SCHEMBL2644144 0.72 ALDH1A1 (0.48) ALDH1A1LMNAHTTTDP1SMN1; SMN2
SCHEMBL2030261 0.72 LMNA (0.59) ALDH1A1LMNAHTTKMT2ATDP1
SCHEMBL30166997 0.72 ALDH1A1 (0.60) ALDH1A1LMNAHTTKMT2ATDP1
SCHEMBL30879375 0.71 MEN1 (0.62) ALDH1A1LMNAHTTKMT2AMEN1

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.