SCHEMBL1925356

SCHEMBL1925356

NC(=O)c1[nH]ccc1-c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.50
LMNA P02545 1/20 0.46
GAA P10253 1/20 0.46
CDC7 O00311 1/20 0.44
CASP1 P29466 1/20 0.42
PARP1 P09874 1/20 0.41
POLB P06746 2/20 0.41
CES1 P23141 1/20 0.41
MAPK1 P28482 1/20 0.41
CA1 P00915 3/20 0.40
CA2 P00918 3/20 0.40
CA12 O43570 2/20 0.40
CA9 Q16790 2/20 0.40
CA14 Q9ULX7 2/20 0.40
KMT2A Q03164 2/20 0.40
PLAU P00749 1/20 0.40
MEN1 O00255 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL1924431 0.86 TDP1 (0.49) TSHRLMNAGAAPOLBCES1
SCHEMBL4482331 0.81 MEN1 (0.51) GAAPOLBMAPK1CA1CA2
SCHEMBL1925897 0.78 CCNC (0.39) PARP1CYP3A4MAPTTDP1ALDH1A1
SCHEMBL17604415 0.76 BCAT2 (0.50) TSHRLMNACDC7PARP1POLB
SCHEMBL1925191 0.75 CASP1 (0.48) TSHRLMNAGAACDC7CASP1
Urea SCHEMBL28797638 0.73 TSHR (0.65) TSHRLMNAGAAPOLBCES1
SCHEMBL27688577 0.73 CYP1A2 (0.43) TSHRPOLBCES1MAPK1CA1
SCHEMBL27688575 0.73 MAPK1 (0.44) GAAPOLBCES1MAPK1CA1
SCHEMBL1924234 0.73 TSHR (0.47) TSHRLMNAGAACDC7CASP1
SCHEMBL4477288 0.73 TSHR (0.47) TSHRLMNAGAACDC7CASP1

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
EP-1856043-B1 1-H-PYRROLE-2-CARBOXAMIDES AND IMIDAZOLE-5-CARBOXAMIDES AND USE THEREOF AS FAK, KDR AND TIE2 KINASE MODULATORS FOR THE TREATMENT OF CANCER AVENTIS PHARMA SA (FR) 2011-06-08 EP disclosed
US-7560571-B2 Substituted pyrroles and imidazoles, compositions containing same, manufacturing process therefor and use thereof AVENTIS PHARMA S.A. (FR) 2009-07-14 US disclosed
US-7560571-B2 Substituted pyrroles and imidazoles, compositions containing same, manufacturing process therefor and use thereof AVENTIS PHARMA S.A. (FR) 2009-07-14 US disclosed
CN-101133023-A Substituted pyrroles and imidazoles, compositions containing same, manufacturing process therefor and use thereof AVENTIS PHARMA SA (FR) 2008-02-27 CN disclosed
US-20080045542-A1 Substituted Pyrroles and Imidazoles, Compositions Containing Same, Manufacturing Process Therefor and Use Thereof AVENTIS PHARMA S.A. (FR) 2008-02-21 US disclosed
US-20080045542-A1 Substituted Pyrroles and Imidazoles, Compositions Containing Same, Manufacturing Process Therefor and Use Thereof AVENTIS PHARMA S.A. (FR) 2008-02-21 US disclosed
EP-1856043-A1 1-H-PYRROLE-2-CARBOXAMIDES AND IMIDAZOLE-5-CARBOXAMIDES AND USE THEREOF AS FAK, KDR AND TIE2 KINASE MODULATORS FOR THE TREATMENT OF CANCER Aventis Pharma S.A. (FR) 2007-11-21 EP disclosed
WO-2006082309-A1 1-H-PYRROLE-2-CARBOXAMIDES AND IMIDAZOLE-5-CARBOXAMIDES AND USE THEREOF AS FAK, KDR AND TIE2 KINASE MODULATORS FOR THE TREATMENT OF CANCER AVENTIS PHARMA SA (FR) 2006-08-10 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-20080045542-A1 Substituted Pyrroles and Imidazoles, Compositions Containing Same, Manufacturing Process Therefor and Use Thereof WEE1, WEE2, FARS2 TSHR 4505/4885LMNA 4591/4885GAA 3554/4885

“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.