SCHEMBL3373208

SCHEMBL3373208

O=C(c1ccc([N+](=O)[O-])c(F)c1)N1CCCC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 7/20 0.60
SMN1; SMN2 Q16637 5/20 0.60
LMNA P02545 4/20 0.60
NOD2 Q9HC29 1/20 0.60
ALDH1A1 P00352 9/20 0.58
MAPT P10636 5/20 0.57
MAPK1 P28482 1/20 0.57
POLB P06746 2/20 0.56
HPGD P15428 2/20 0.56
NPSR1 Q6W5P4 4/20 0.55
KDM4E B2RXH2 1/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
L3MBTL1 Q9Y468 3/20 0.53
L3MBTL3 Q96JM7 1/20 0.53
RXFP1 Q9HBX9 1/20 0.52
GPR174 Q9BXC1 1/20 0.52
RECQL P46063 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
GAA P10253 1/20 0.51

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
SCHEMBL16982491 0.87 ALDH1A1 (0.72) HTTSMN1; SMN2LMNAALDH1A1MAPT
SCHEMBL16982337 0.87 MEN1 (0.68) HTTSMN1; SMN2LMNAALDH1A1MAPT
SCHEMBL20456913 0.87 HTT (0.66) HTTSMN1; SMN2LMNANOD2ALDH1A1
SCHEMBL1353061 0.87 HTT (0.66) HTTSMN1; SMN2LMNANOD2ALDH1A1
SCHEMBL17747815 0.86 SMN1; SMN2 (0.61) HTTSMN1; SMN2LMNANOD2ALDH1A1
SCHEMBL10240070 0.85 SMN1; SMN2 (0.63) HTTSMN1; SMN2LMNANOD2ALDH1A1
SCHEMBL15754986 0.84 ALDH1A1 (0.56) HTTSMN1; SMN2LMNANOD2ALDH1A1
SCHEMBL31030961 0.83 MEN1 (0.71) HTTSMN1; SMN2LMNAALDH1A1MAPT
SCHEMBL28657253 0.83 ALDH1A1 (0.52) HTTSMN1; SMN2LMNANOD2ALDH1A1
SCHEMBL28657251 0.83 ALDH1A1 (0.52) HTTSMN1; SMN2LMNANOD2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1636216-B1 BENZIMIDAZOLE-DERIVATIVES AS FACTOR Xa INHIBITORS SANOFI AVENTIS DEUTSCHLAND (DE) 2010-07-21 EP disclosed
US-7741341-B2 Benzimidazole-derivatives as factor Xa inhibitors SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2010-06-22 US disclosed
EP-1636216-A1 BENZIMIDAZOLE-DERIVATIVES AS FACTOR Xa INHIBITORS Sanofi-Aventis Deutschland GmbH (DE) 2006-03-22 EP disclosed
US-20050009829-A1 Benzimidazole-derivatives as factor Xa inhibitors AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2005-01-13 US disclosed
WO-2004101553-A1 BENZIMIDAZOLE-DERIVATIVES AS FACTOR Xa INHIBITORS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2004-11-25 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-20050009829-A1 Benzimidazole-derivatives as factor Xa inhibitors F12, F11, F5 HTT 4238/4885SMN1; SMN2 2792/4885LMNA 141/4885

“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.