SCHEMBL4968403

SCHEMBL4968403

O=C(O)Nc1ccc(NCCN2CCCCC2)c([N+](=O)[O-])c1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.56
RAB9A P51151 2/20 0.55
KMT2A Q03164 4/20 0.51
HDAC1 Q13547 1/20 0.50
LMNA P02545 2/20 0.49
ALDH1A1 P00352 1/20 0.49
GAA P10253 1/20 0.49
HTT P42858 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
PKM P14618 2/20 0.49
MAPK1 P28482 1/20 0.49
MEN1 O00255 3/20 0.48
POLB P06746 2/20 0.47
KDM4E B2RXH2 1/20 0.47
HRH3 Q9Y5N1 1/20 0.46

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
SCHEMBL4968406 1.00 MAPT (0.56) MAPTRAB9AKMT2AHDAC1LMNA
SCHEMBL14523935 0.88 MAPT (0.53) MAPTRAB9AKMT2AHDAC1LMNA
SCHEMBL6713011 0.83 MCHR1 (0.54) MAPTKMT2ALMNAALDH1A1MEN1
SCHEMBL28183332 0.82 HCAR3 (0.65) MAPTKMT2AHDAC1ALDH1A1MEN1
SCHEMBL6712490 0.81 MAPT (0.51) MAPTRAB9AKMT2AHDAC1LMNA
SCHEMBL4968452 0.81 TERT (0.47) MAPTKMT2AALDH1A1MAPK1MEN1
SCHEMBL6232184 0.79 MAPT (0.68) MAPTRAB9AHDAC1LMNAALDH1A1
SCHEMBL5443785 0.79 MAPT (0.48) MAPTRAB9AKMT2AHDAC1ALDH1A1
SCHEMBL5443793 0.79 MAPT (0.48) MAPTRAB9AKMT2AHDAC1ALDH1A1
SCHEMBL2326316 0.78 PKM (0.61) MAPTRAB9AHDAC1LMNASMN1; SMN2

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-1670770-B1 BENZIMIDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING THEM, PREPARATION THEROF AND USES THEREOF ASTRAZENECA AB (SE) 2008-08-20 EP disclosed
US-20070082899-A1 Benzimidazole derivatives, compositions containing them, preparation thereof and uses thereof ASTRAZENECA AB (SE) 2007-04-12 US disclosed
EP-1673369-A1 BENZIMIDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING THEM, PREPARATION THEREOF AND USES THEREOF AstraZeneca AB (SE) 2006-06-28 EP disclosed
WO-2005030761-A1 BENZIMIDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING THEM, PREPARATION THEREOF AND USES THEREOF ASTRAZENECA AB (SE) 2005-04-07 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-20070082899-A1 Benzimidazole derivatives, compositions containing them, preparation thereof and uses thereof F12, H1-3, H1-4 MAPT 4445/4885RAB9A 2415/4885KMT2A 1385/4885

“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.