SCHEMBL3966385

SCHEMBL3966385

CC(=O)Nc1ccc(NCC2CCCCC2)c([N+](=O)[O-])c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.60
MAPT P10636 10/20 0.50
ALDH1A1 P00352 7/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
MAPK1 P28482 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
ALDH3A1 P30838 1/20 0.49
KMT2A Q03164 6/20 0.47
MEN1 O00255 5/20 0.47
KDM4E B2RXH2 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
HPGD P15428 1/20 0.47
CYP2C19 P33261 1/20 0.47
RAB9A P51151 5/20 0.46
NPC1 O15118 4/20 0.46
L3MBTL1 Q9Y468 3/20 0.46
LMNA P02545 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
HCAR3 P49019 1/20 0.45

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
SCHEMBL5881710 0.94 HTT (0.64) HTTMAPTALDH1A1SMN1; SMN2MAPK1
SCHEMBL1609171 0.90 HTT (0.58) HTTMAPTALDH1A1SMN1; SMN2MAPK1
SCHEMBL14116535 0.89 HTT (0.45) HTTMAPTALDH1A1SMN1; SMN2MAPK1
SCHEMBL3928131 0.89 MAPT (0.51) HTTMAPTALDH1A1SMN1; SMN2MAPK1
SCHEMBL3928138 0.89 MAPT (0.51) HTTMAPTALDH1A1SMN1; SMN2MAPK1
SCHEMBL13876933 0.89 KMT2A (0.51) HTTMAPTALDH1A1SMN1; SMN2MAPK1
SCHEMBL3971120 0.88 MAPT (0.48) HTTMAPTALDH1A1SMN1; SMN2MAPK1
SCHEMBL584707 0.87 HTT (0.55) HTTMAPTALDH1A1SMN1; SMN2MAPK1
SCHEMBL18406296 0.83 HTT (0.48) HTTMAPTALDH1A1MAPK1TDP1
SCHEMBL26914012 0.83 MAPT (0.60) HTTMAPTALDH1A1SMN1; SMN2MAPK1

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8633235-B2 Benzimidazole derivatives, compositions containing them, preparation thereof and uses thereof NEOMED INSTITUTE (CA) 2014-01-21 US disclosed
US-8633235-B2 Benzimidazole derivatives, compositions containing them, preparation thereof and uses thereof NEOMED INSTITUTE (CA) 2014-01-21 US disclosed
US-8633235-B2 Benzimidazole derivatives, compositions containing them, preparation thereof and uses thereof NEOMED INSTITUTE (CA) 2014-01-21 US disclosed
US-20090111865-A1 Benzimidazole Derivatives, Compositions Containing Them, Preparation Thereof and Uses Thereof ASTRAZENECA AB (SE) 2009-04-30 US disclosed
US-20090111865-A1 Benzimidazole Derivatives, Compositions Containing Them, Preparation Thereof and Uses Thereof ASTRAZENECA AB (SE) 2009-04-30 US disclosed
US-20090111865-A1 Benzimidazole Derivatives, Compositions Containing Them, Preparation Thereof and Uses Thereof ASTRAZENECA AB (SE) 2009-04-30 US disclosed
EP-1670769-B1 BENZIMIDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING THEM, PREPARATION THEREOF AND USES THEREOF ASTRAZENECA AB (SE) 2009-04-29 EP disclosed
US-7501447-B2 Benzimidazole derivatives, compositions containing them, preparation thereof and uses thereof ASTRAZENECA AB (SE) 2009-03-10 US disclosed
US-7501447-B2 Benzimidazole derivatives, compositions containing them, preparation thereof and uses thereof ASTRAZENECA AB (SE) 2009-03-10 US disclosed
US-7501447-B2 Benzimidazole derivatives, compositions containing them, preparation thereof and uses thereof ASTRAZENECA AB (SE) 2009-03-10 US disclosed
US-20070072853-A1 Benzimidazole derivatives compositions containing them, preparation thereof and uses thereof ASTRAZENECA AB (SE) 2007-03-29 US disclosed
US-20060205802-A1 Benzimidazole derivatives, compositions containing them, preparation thereof and uses thereof ASTRAZENECA AB (SE) 2006-09-14 US disclosed
EP-1673369-A1 BENZIMIDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING THEM, PREPARATION THEREOF AND USES THEREOF AstraZeneca AB (SE) 2006-06-28 EP disclosed
EP-1670770-A1 BENZIMIDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING THEM, PREPARATION THEROF AND USES THEREOF AstraZeneca AB (SE) 2006-06-21 EP disclosed
EP-1670769-A1 BENZIMIDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING THEM, PREPARATION THEREOF AND USES THEREOF AstraZeneca AB (SE) 2006-06-21 EP disclosed
EP-1636214-A1 BENZIMIDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING THEM, PREPARATION THEREOF AND USES THEREOF Astrazeneca AB (SE) 2006-03-22 EP disclosed
WO-2005030761-A1 BENZIMIDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING THEM, PREPARATION THEREOF AND USES THEREOF ASTRAZENECA AB (SE) 2005-04-07 WO disclosed
WO-2005030733-A1 BENZIMIDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING THEM, PREPARATION THEROF AND USES THEREOF ASTRAZENECA AB (SE) 2005-04-07 WO disclosed
WO-2005030732-A1 BENZIMIDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING THEM, PREPARATION THEREOF AND USES THEREOF ASTRAZENECA AB (SE) 2005-04-07 WO disclosed
WO-2004108712-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 (3 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-20070072853-A1 Benzimidazole derivatives compositions containing them, preparation thereof and uses thereof RB1, CYP2C19, ADRB3 HTT 3623/4885MAPT 3892/4885ALDH1A1 165/4885
US-20090111865-A1 Benzimidazole Derivatives, Compositions Containing Them, Preparation Thereof and Uses Thereof H1-3, H1-4, CYP3A4 HTT 4097/4885MAPT 3719/4885ALDH1A1 429/4885
US-20060205802-A1 Benzimidazole derivatives, compositions containing them, preparation thereof and uses thereof H1-3, CYP2C19, CYP3A4 HTT 4185/4885MAPT 3771/4885ALDH1A1 370/4885

“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.