SCHEMBL4459876

SCHEMBL4459876

CCN(CC)C(=O)c1ccc(NCC2CCCCC2)c([N+](=O)[O-])c1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 7/20 0.50
ALDH1A1 P00352 6/20 0.50
MAPT P10636 6/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
HTT P42858 2/20 0.50
KMT2A Q03164 1/20 0.49
L3MBTL1 Q9Y468 3/20 0.45
NPC1 O15118 4/20 0.45
RAB9A P51151 4/20 0.45
PKM P14618 1/20 0.44
CRHBP P24387 1/20 0.44
CRHR2 Q13324 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
SCHEMBL5881860 0.94 HCAR3 (0.52) HCAR3ALDH1A1MAPTSMN1; SMN2HTT
SCHEMBL5104752 0.87 MAPT (0.48) HCAR3ALDH1A1MAPTSMN1; SMN2HTT
SCHEMBL5591926 0.87 HCAR3 (0.47) HCAR3ALDH1A1MAPTSMN1; SMN2HTT
SCHEMBL5095722 0.86 HCAR3 (0.49) HCAR3ALDH1A1MAPTSMN1; SMN2HTT
SCHEMBL5095713 0.84 HCAR3 (0.49) HCAR3ALDH1A1MAPTSMN1; SMN2HTT
SCHEMBL3762305 0.83 HPGD (0.58) HCAR3ALDH1A1MAPTSMN1; SMN2HTT
SCHEMBL5598329 0.82 HCAR3 (0.46) HCAR3ALDH1A1MAPTSMN1; SMN2HTT
SCHEMBL5591708 0.82 GPR119 (0.49) HCAR3PKM
SCHEMBL4468864 0.82 PTGER4 (0.59) ALDH1A1MAPTHTT
SCHEMBL5095799 0.81 HCAR3 (0.48) HCAR3ALDH1A1MAPTSMN1; SMN2HTT

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 8 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
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
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 HCAR3 1962/4885ALDH1A1 1603/4885MAPT 2820/4885

“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.