SCHEMBL1925882

SCHEMBL1925882

CC(C)(C)OC(=O)Nc1c[nH]c(C(N)=O)c1-c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.39
GAA P10253 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
HTT P42858 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
BCL2 P10415 2/20 0.39
BECN1 Q14457 2/20 0.39
ALDH1A1 P00352 4/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
MMP1 P03956 2/20 0.38
MMP2 P08253 2/20 0.38
MMP9 P14780 2/20 0.38
MMP8 P22894 2/20 0.38
MMP13 P45452 2/20 0.38
MAPK1 P28482 1/20 0.37
PKM P14618 1/20 0.36
LMNA P02545 1/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL1925193 0.85 METAP1 (0.35) ALDH1A1RAB9ALMNA
SCHEMBL13790194 0.75 TSHR (0.46) MAPTGAASMN1; SMN2HTTMEN1
SCHEMBL1924776 0.75 KMT2A (0.47) MAPTGAASMN1; SMN2HTTMEN1
SCHEMBL3026886 0.73 CHRM3 (0.53) MAPTSMN1; SMN2HTTMEN1KMT2A
SCHEMBL279598 0.73 TSHR (0.44) MAPTGAASMN1; SMN2HTTMEN1
SCHEMBL1923902 0.72 KDR (0.49)
SCHEMBL1532248 0.71 KMT2A (0.59) MAPTGAASMN1; SMN2HTTMEN1
SCHEMBL1924226 0.71 TSHR (0.45) MAPTGAASMN1; SMN2HTTMEN1
SCHEMBL10033297 0.71 HTT (0.50) MAPTGAASMN1; SMN2HTTMEN1
SCHEMBL12031278 0.70 PDK1 (0.63) MAPTHTTMEN1KMT2AALDH1A1

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 6 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

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 MAPT 1988/4885GAA 3554/4885SMN1; SMN2 4592/4885

“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.