SCHEMBL1925191

SCHEMBL1925191

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 1/20 0.48
KMT2A Q03164 2/20 0.47
TSHR P16473 2/20 0.46
CDC7 O00311 1/20 0.44
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.43
ALDH1A1 P00352 2/20 0.41
MAPT P10636 2/20 0.41
PARP1 P09874 1/20 0.41
CHEK2 O96017 2/20 0.40
FBP1 P09467 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
CYP3A4 P08684 1/20 0.39
CCNE2 O96020 1/20 0.38
CCNE1 P24864 1/20 0.38
CDK2 P24941 1/20 0.38
POLB P06746 2/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
PKM P14618 1/20 0.38

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
SCHEMBL1924002 0.80 MAP2 (0.40) PARP1CHEK2
SCHEMBL27867883 0.80 CDC7 (0.50) KMT2ATSHRCDC7LMNAALDH1A1
SCHEMBL1925356 0.75 TSHR (0.50) CASP1KMT2ATSHRCDC7LMNA
SCHEMBL1924776 0.71 KMT2A (0.47) CASP1KMT2ATSHRCDC7LMNA
Urea SCHEMBL28797638 0.70 TSHR (0.65) KMT2ATSHRLMNAGAAALDH1A1
SCHEMBL4477288 0.70 TSHR (0.47) CASP1KMT2ATSHRCDC7LMNA
SCHEMBL10992715 0.69 CDC7 (0.47) CASP1KMT2ATSHRCDC7LMNA
SCHEMBL9457556 0.68 BCAT2 (0.62) CASP1KMT2ATSHRCDC7LMNA
Urea SCHEMBL27805729 0.68 TSHR (0.74) KMT2ATSHRLMNAGAAALDH1A1
SCHEMBL27915882 0.68 TSHR (0.62) CASP1KMT2ATSHRCDC7LMNA

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 CASP1 984/4885KMT2A 1844/4885TSHR 4505/4885

“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.