SCHEMBL4464340

SCHEMBL4464340

N#Cc1ccc(NCC2CCCCC2)c([N+](=O)[O-])c1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KAT2B Q92831 1/20 0.56
MAPT P10636 6/20 0.53
ALDH1A1 P00352 1/20 0.53
HTT P42858 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
KMT2A Q03164 6/20 0.52
LMNA P02545 1/20 0.50
PKM P14618 1/20 0.50
VCAM1 P19320 1/20 0.46
MEN1 O00255 3/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
MERTK Q12866 1/20 0.43
RAB9A P51151 1/20 0.43
HCAR3 P49019 1/20 0.42
MAPK1 P28482 1/20 0.41
PTGER4 P35408 1/20 0.41
LRRK2 Q5S007 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
SCHEMBL5881547 0.94 KAT2B (0.60) KAT2BMAPTALDH1A1HTTSMN1; SMN2
SCHEMBL31200424 0.85 KAT2B (0.51) KAT2BMAPTALDH1A1HTTSMN1; SMN2
SCHEMBL27171091 0.84 KAT2B (0.53) KAT2BMAPTKMT2ALMNAPKM
SCHEMBL29585713 0.84 KAT2B (0.53) KAT2BMAPTKMT2ALMNAPKM
SCHEMBL27171094 0.84 KAT2B (0.53) KAT2BMAPTKMT2ALMNAPKM
SCHEMBL31200500 0.82 KAT2B (0.48) KAT2BMAPTALDH1A1KMT2ALMNA
SCHEMBL26913995 0.81 KMT2A (0.57) KAT2BMAPTALDH1A1HTTSMN1; SMN2
SCHEMBL29586181 0.81 KMT2A (0.57) KAT2BMAPTALDH1A1HTTSMN1; SMN2
SCHEMBL26913989 0.81 KMT2A (0.57) KAT2BMAPTALDH1A1HTTSMN1; SMN2
SCHEMBL24283552 0.81 MAPT (0.55) MAPTALDH1A1HTTSMN1; SMN2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7517898-B2 Benzimidazole derivatives, compositions containing them, preparation thereof and uses thereof ASTRAZENECA AB (SE) 2009-04-14 US disclosed
US-7517898-B2 Benzimidazole derivatives, compositions containing them, preparation thereof and uses thereof ASTRAZENECA AB (SE) 2009-04-14 US disclosed
US-7517898-B2 Benzimidazole derivatives, compositions containing them, preparation thereof and uses thereof ASTRAZENECA AB (SE) 2009-04-14 US disclosed
CN-101328151-A Benzimidazole derivatives, compositions containing them, preparation thereof and uses thereof ASTRAZENECA AB (SE) 2008-12-24 CN disclosed
US-20070060583-A1 Benzimidazole derivatives, compositions containing them, preparation therof and uses thereof ASTRAZENECA AB (SE) 2007-03-15 US disclosed
US-20070060583-A1 Benzimidazole derivatives, compositions containing them, preparation therof and uses thereof ASTRAZENECA AB (SE) 2007-03-15 US disclosed
US-20070060583-A1 Benzimidazole derivatives, compositions containing them, preparation therof and uses thereof ASTRAZENECA AB (SE) 2007-03-15 US disclosed
CN-1805940-A Benzimidazole derivatives, compositions containing them, their preparation and their use ASTRAZENECA AB (SE) 2006-07-19 CN disclosed
EP-1636193-A1 BENZIMIDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING THEM, PREPARATION THEREOF AND USES THEREOF AstraZeneca AB (SE) 2006-03-22 EP disclosed
WO-2004108688-A1 BENZIMIDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING THEM, PREPARATION THEREOF AND USES THEREOF ASTRAZENECA AB (SE) 2004-12-16 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-20070060583-A1 Benzimidazole derivatives, compositions containing them, preparation therof and uses thereof BTF3, TYMS, F3 KAT2B 1070/4885MAPT 2820/4885ALDH1A1 1603/4885

“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.