SCHEMBL5404463

SCHEMBL5404463

N#Cc1ccc(NCc2cccc(SCc3ccccc3)c2)c([N+](=O)[O-])c1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.49
LMNA P02545 3/20 0.48
PKM P14618 2/20 0.48
KAT2B Q92831 1/20 0.48
KMT2A Q03164 4/20 0.46
MAOA P21397 2/20 0.45
MAOB P27338 2/20 0.45
MEN1 O00255 2/20 0.44
RAB9A P51151 2/20 0.40
MERTK Q12866 1/20 0.40
TLR7 Q9NYK1 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ABCB1 P08183 1/20 0.39
USP2 O75604 1/20 0.39
HTT P42858 1/20 0.39
RECQL P46063 1/20 0.39

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
SCHEMBL29411983 0.76 HTR6 (0.58) MAPTLMNAPKMKAT2BKMT2A
SCHEMBL9933797 0.76 CYP1A2 (0.57) MAPTLMNAPKMKAT2BKMT2A
SCHEMBL25256082 0.74 KAT2B (0.57) MAPTLMNAPKMKAT2BKMT2A
SCHEMBL25831547 0.74 MAPT (0.58) MAPTLMNAPKMKAT2BKMT2A
SCHEMBL7035499 0.73 KMT2A (0.56) MAPTLMNAPKMKAT2BKMT2A
SCHEMBL21382480 0.71 MAPT (0.54) MAPTLMNAPKMKAT2BKMT2A
SCHEMBL25296719 0.71 KAT2B (0.57) MAPTLMNAPKMKAT2BKMT2A
SCHEMBL22481564 0.71 MAPT (0.68) MAPTLMNAPKMKAT2BKMT2A
SCHEMBL12497201 0.70 APP (0.63) MAPTLMNAKMT2AMEN1ABCB1
SCHEMBL2080430 0.70 KAT2B (0.65) MAPTLMNAPKMKAT2BKMT2A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7176320-B2 Benzimidazole derivative TEIJIN LIMITED (JP) 2007-02-13 US disclosed
US-20050267148-A1 Benzimidazole derivative TEIJIN LIMITED 2005-12-01 US disclosed
US-20040162311-A1 Benzimidazole derivative TEIJIN LIMITED 2004-08-19 US disclosed
US-20040010004-A1 Benzimidazole derivatives TEIJIN LIMITED (JP) 2004-01-15 US disclosed
EP-1249450-A1 BENZIMIDAZOLE DERIVATIVES TEIJIN LIMITED (JP) 2002-10-16 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 (3 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-20040162311-A1 Benzimidazole derivative CMA1, CBR3, CBR1 MAPT 4120/4885LMNA 1813/4885PKM 857/4885
US-20040010004-A1 Benzimidazole derivatives CMA1, CBR3, CBR1 MAPT 4101/4885LMNA 1790/4885PKM 789/4885
US-20050267148-A1 Benzimidazole derivative CMA1, SERPINB1, TPSAB1 MAPT 4269/4885LMNA 3900/4885PKM 2619/4885

“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.