SCHEMBL6023906

SCHEMBL6023906

CNCc1ccc(NCCCOC)c([N+](=O)[O-])c1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KAT2B Q92831 4/20 0.54
LMNA P02545 3/20 0.53
HCAR3 P49019 3/20 0.53
MAPT P10636 4/20 0.49
ALDH1A1 P00352 3/20 0.49
PTGER4 P35408 1/20 0.49
RAB9A P51151 1/20 0.49
POLB P06746 3/20 0.48
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
PKM P14618 1/20 0.45
PRSS1 P07477 1/20 0.44
FBP1 P09467 1/20 0.44
KDM4E B2RXH2 1/20 0.44

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
SCHEMBL739541 0.82 KAT2B (0.71) KAT2BLMNAHCAR3MAPTALDH1A1
SCHEMBL18075204 0.78 HCAR3 (0.67) KAT2BLMNAHCAR3MAPTALDH1A1
SCHEMBL28183325 0.78 HCAR3 (0.86) LMNAHCAR3MAPTALDH1A1PTGER4
SCHEMBL1958584 0.78 MAPT (0.75) KAT2BLMNAHCAR3MAPTALDH1A1
SCHEMBL7745470 0.77 ALDH1A1 (0.66) KAT2BLMNAHCAR3MAPTALDH1A1
SCHEMBL1420938 0.77 HCAR3 (0.58) KAT2BLMNAHCAR3MAPTALDH1A1
SCHEMBL15984906 0.76 KAT2B (0.74) KAT2BLMNAHCAR3MAPTALDH1A1
SCHEMBL6024481 0.75 MAPT (0.51) KAT2BLMNAHCAR3MAPTALDH1A1
SCHEMBL6023064 0.74 HCAR3 (0.50) LMNAHCAR3MAPTALDH1A1PTGER4
SCHEMBL15774665 0.74 MAPT (0.87) LMNAHCAR3MAPTALDH1A1PTGER4

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 KAT2B 2532/4885LMNA 2269/4885HCAR3 1724/4885

“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.