SCHEMBL10240070

SCHEMBL10240070

O=C(c1ccc([N+](=O)[O-])c([N+](=O)[O-])c1)N1CCCCC1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.63
HTT P42858 3/20 0.63
LMNA P02545 2/20 0.63
NOD2 Q9HC29 1/20 0.63
MEN1 O00255 3/20 0.60
KMT2A Q03164 3/20 0.60
ALDH1A1 P00352 10/20 0.59
HPGD P15428 3/20 0.59
L3MBTL1 Q9Y468 2/20 0.59
L3MBTL3 Q96JM7 1/20 0.59
GAA P10253 2/20 0.58
KDM4E B2RXH2 1/20 0.57
POLB P06746 4/20 0.56
MAPK1 P28482 1/20 0.56
CASP6 P55212 1/20 0.56
RXFP1 Q9HBX9 1/20 0.55
MAPT P10636 1/20 0.55

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
SCHEMBL17747815 0.98 SMN1; SMN2 (0.61) SMN1; SMN2HTTLMNANOD2MEN1
SCHEMBL5754852 0.87 L3MBTL1 (0.69) SMN1; SMN2HTTLMNANOD2MEN1
SCHEMBL1353061 0.87 HTT (0.66) SMN1; SMN2HTTLMNANOD2MEN1
SCHEMBL1354636 0.87 SMN1; SMN2 (0.59) SMN1; SMN2HTTLMNANOD2MEN1
SCHEMBL10126443 0.87 GAA (0.76) SMN1; SMN2HTTLMNANOD2MEN1
SCHEMBL20456913 0.87 HTT (0.66) SMN1; SMN2HTTLMNANOD2MEN1
SCHEMBL14324542 0.87 ALDH1A1 (0.76) SMN1; SMN2HTTLMNANOD2MEN1
SCHEMBL14236801 0.87 ALDH1A1 (0.76) SMN1; SMN2HTTLMNANOD2MEN1
SCHEMBL15172174 0.87 ALDH1A1 (0.76) SMN1; SMN2HTTLMNANOD2MEN1
SCHEMBL15754986 0.86 ALDH1A1 (0.56) SMN1; SMN2HTTLMNANOD2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9776988-B2 Pyrazolylbenzo[d]imidazole derivatives CELON PHARMA S.A. (PL) 2017-10-03 US disclosed
US-9776988-B2 Pyrazolylbenzo[d]imidazole derivatives CELON PHARMA S.A. (PL) 2017-10-03 US disclosed
US-9776988-B2 Pyrazolylbenzo[d]imidazole derivatives CELON PHARMA S.A. (PL) 2017-10-03 US disclosed
EP-2970210-B1 PYRAZOLYLBENZO[D]IMIDAZOLE DERIVATIVES Celon Pharma Sa (PL) 2017-01-04 EP disclosed
EP-2970210-B1 PYRAZOLYLBENZO[D]IMIDAZOLE DERIVATIVES Celon Pharma Sa (PL) 2017-01-04 EP disclosed
US-20160039794-A1 PYRAZOLYLBENZO[D]IMIDAZOLE DERIVATIVES CELON PHARMA S.A. (PL) 2016-02-11 US disclosed
US-20160039794-A1 PYRAZOLYLBENZO[D]IMIDAZOLE DERIVATIVES CELON PHARMA S.A. (PL) 2016-02-11 US disclosed
US-20160039794-A1 PYRAZOLYLBENZO[D]IMIDAZOLE DERIVATIVES CELON PHARMA S.A. (PL) 2016-02-11 US disclosed
EP-2970210-A1 PYRAZOLYLBENZO[D]IMIDAZOLE DERIVATIVES CELON PHARMA S.A. (PL) 2016-01-20 EP disclosed
WO-2014141015-A1 PYRAZOLYLBENZO[D]IMIDAZOLE DERIVATIVES CELON PHARMA S.A. (PL) 2014-09-18 WO disclosed
WO-2014141015-A1 PYRAZOLYLBENZO[D]IMIDAZOLE DERIVATIVES CELON PHARMA S.A. (PL) 2014-09-18 WO disclosed
US-8778936-B2 Pyrazole compounds that modulate the activity of CDK, GSK and aurora kinases ASTEX THERAPEUTICS LIMITED (GB) 2014-07-15 US disclosed
US-8399442-B2 Pharmaceutical compounds ASTEX THERAPEUTICS LIMITED (GB) 2013-03-19 US disclosed
US-20120190673-A1 PYRAZOLE COMPOUNDS THAT MODULATE THE ACTIVITY OF CDK, GSK AND AURORA KINASES ASTEX THERAPEUTICS LIMITED (GB) 2012-07-26 US disclosed
US-8110573-B2 Enzyme inhibitors; Cyclin-Dependent Kinases (CDK), Glycogen Synthase Kinases (GSK); -cyclopropyl-3-[3-(5-morpholin-4-ylmethyl-1H-benzoimidazol-2-yl)-1H-pyrazol-4-yl]-urea salt for example; anticancer agents ASTEX THERAPEUTICS LIMITED (GB) 2012-02-07 US disclosed
US-20100004232-A1 Pharmaceutical Compounds ASTEX THERAPEUTICS LIMITED (UK) 2010-01-07 US disclosed
US-20080132495-A1 Pyrazole Compounds that Modulate the Activity of Cdk, Gsk and Aurora Kinases ASTEX THERAPEUTICS LIMITED (GB) 2008-06-05 US 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 (4 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-20100004232-A1 Pharmaceutical Compounds ERBB3, ABL1, RET SMN1; SMN2 3461/4885HTT 3102/4885LMNA 3862/4885
US-20160039794-A1 PYRAZOLYLBENZO[D]IMIDAZOLE DERIVATIVES NR0B2, NR2C2, NR4A3 SMN1; SMN2 3327/4885HTT 4737/4885LMNA 1401/4885
US-20120190673-A1 PYRAZOLE COMPOUNDS THAT MODULATE THE ACTIVITY OF CDK, GSK AND AURORA KINASES CDK3, CDK1, AURKA SMN1; SMN2 2569/4885HTT 3641/4885LMNA 634/4885
US-20080132495-A1 Pyrazole Compounds that Modulate the Activity of Cdk, Gsk and Aurora Kinases CDK3, CDK1, AURKA SMN1; SMN2 2569/4885HTT 3641/4885LMNA 634/4885

“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.