SCHEMBL3934079

SCHEMBL3934079

CN1CCN(c2ccc3nc(-c4nn(C5CCCCO5)cc4[N+](=O)[O-])[nH]c3c2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 4/20 0.45
FLT1 P17948 2/20 0.45
ALDH1A1 P00352 5/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
TOP1 P11387 2/20 0.42
TOP2A P11388 2/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42
BRD4 O60885 2/20 0.42
MAPT P10636 3/20 0.42
ALOX12 P18054 1/20 0.42
LMNA P02545 1/20 0.42
KDM4E B2RXH2 2/20 0.41
MEN1 O00255 2/20 0.41
BLM P54132 2/20 0.41
KMT2A Q03164 2/20 0.41
GAA P10253 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
TERT O14746 3/20 0.41
NPC1 O15118 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
SCHEMBL3928037 0.86 FGFR1 (0.48) FGFR1FLT1ALDH1A1SMN1; SMN2TOP1
SCHEMBL3926150 0.86 MAPT (0.41) FGFR1ALDH1A1SMN1; SMN2MAPTALOX12
SCHEMBL3926427 0.84 MAPT (0.42) FGFR1ALDH1A1SMN1; SMN2MAPTLMNA
SCHEMBL5952646 0.81 ABL1 (0.33)
SCHEMBL3926947 0.80 BRD4 (0.42) FGFR1FLT1ALDH1A1SMN1; SMN2TOP1
SCHEMBL4122430 0.80 BRD4 (0.42) FGFR1FLT1ALDH1A1SMN1; SMN2TOP1
SCHEMBL3922614 0.79 BRD4 (0.43) FGFR1FLT1ALDH1A1SMN1; SMN2TOP1
SCHEMBL4133772 0.79 BRD4 (0.42) FGFR1FLT1ALDH1A1SMN1; SMN2TOP1
SCHEMBL3922695 0.79 BRD4 (0.42) FGFR1FLT1ALDH1A1SMN1; SMN2TOP1
SCHEMBL5952354 0.78 MAPT (0.37) ALDH1A1SMN1; SMN2MAPTLMNAMEN1

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
EP-2041119-B1 PYRAZOLYLBENZIMIDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING THEM AND USE THEREOF AVENTIS PHARMA SA (FR) 2017-05-10 EP disclosed
US-9126969-B2 Pyrazolylbenzimidazole derivatives, compositions containing them and use thereof AVENTIS PHARMA S.A. (FR) 2015-09-08 US disclosed
US-9126969-B2 Pyrazolylbenzimidazole derivatives, compositions containing them and use thereof AVENTIS PHARMA S.A. (FR) 2015-09-08 US disclosed
US-9126969-B2 Pyrazolylbenzimidazole derivatives, compositions containing them and use thereof AVENTIS PHARMA S.A. (FR) 2015-09-08 US disclosed
US-20090197866-A1 PYRAZOLYLBENZIMIDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING THEM AND USE THEREOF AVENTIS PHARMA S.A. (FR) 2009-08-06 US disclosed
US-20090197866-A1 PYRAZOLYLBENZIMIDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING THEM AND USE THEREOF AVENTIS PHARMA S.A. (FR) 2009-08-06 US disclosed
US-20090197866-A1 PYRAZOLYLBENZIMIDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING THEM AND USE THEREOF AVENTIS PHARMA S.A. (FR) 2009-08-06 US disclosed
EP-2041119-A1 PYRAZOLYLBENZIMIDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING THEM AND USE THEREOF Aventis Pharma S.A. (FR) 2009-04-01 EP disclosed
WO-2008003857-A1 PYRAZOLYLBENZIMIDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING THEM AND USE THEREOF AVENTIS PHARMA S.A. (FR) 2008-01-10 WO disclosed
WO-2008003857-A1 PYRAZOLYLBENZIMIDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING THEM AND USE THEREOF AVENTIS PHARMA S.A. (FR) 2008-01-10 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-20090197866-A1 PYRAZOLYLBENZIMIDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING THEM AND USE THEREOF RB1, CCNI, CDK2 FGFR1 2171/4885FLT1 1525/4885ALDH1A1 874/4885

“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.