SCHEMBL6024481

SCHEMBL6024481

CCCCNc1cc(CNC)ccc1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.51
HCAR3 P49019 2/20 0.51
PKM P14618 2/20 0.51
POLB P06746 1/20 0.51
KAT2B Q92831 5/20 0.50
ALDH1A1 P00352 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
LMNA P02545 1/20 0.48
MAPK1 P28482 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
GAA P10253 1/20 0.45
SIRT5 Q9NXA8 1/20 0.41

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
SCHEMBL4980984 0.79 HCAR3 (0.58) MAPTHCAR3PKMPOLBKAT2B
SCHEMBL1283854 0.79 MAPT (0.54) MAPTHCAR3PKMPOLBKAT2B
SCHEMBL11048929 0.79 MAPT (0.65) MAPTHCAR3PKMPOLBKAT2B
SCHEMBL762635 0.78 KAT2B (0.60) MAPTHCAR3PKMPOLBKAT2B
SCHEMBL762553 0.78 SMN1; SMN2 (0.60) MAPTHCAR3PKMPOLBKAT2B
SCHEMBL6024313 0.76 HCAR3 (0.62) MAPTHCAR3PKMPOLBKAT2B
SCHEMBL15239673 0.76 MAPT (0.61) MAPTHCAR3PKMPOLBKAT2B
SCHEMBL17819083 0.76 KAT2B (0.72) MAPTHCAR3PKMPOLBKAT2B
SCHEMBL20529066 0.76 HCAR3 (0.53) MAPTHCAR3PKMPOLBKAT2B
SCHEMBL27847152 0.76 MAPT (0.58) MAPTHCAR3PKMPOLBKAT2B

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
US-7138420-B2 Substituted benzimidazole compounds BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2006-11-21 US disclosed
US-20050203158-A1 Substituted benzimidazole compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-09-15 US disclosed
EP-1529046-A1 SUBSTITUTED BENZIMIDAZOLE COMPOUNDS BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2005-05-11 EP disclosed
WO-2004014905-A1 SUBSTITUTED BENZIMIDAZOLE COMPOUNDS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2004-02-19 WO 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-20050203158-A1 Substituted benzimidazole compounds ITK, BLK, SBK1 MAPT 4228/4885HCAR3 1724/4885PKM 315/4885

“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.