SCHEMBL4472371

SCHEMBL4472371

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.39
MAPT P10636 6/20 0.39
HSD17B10 Q99714 3/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
GAA P10253 3/20 0.39
KDM4E B2RXH2 3/20 0.39
PRKCZ Q05513 3/20 0.38
CNR2 P34972 1/20 0.38
HTT P42858 1/20 0.38
HPGD P15428 3/20 0.37
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
KMT2A Q03164 1/20 0.37
SLC6A3 Q01959 3/20 0.36
SLC6A4 P31645 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 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
SCHEMBL25223065 0.84 SLC6A4 (0.54) ALDH1A1MAPTMAPK1KDM4ECNR2
SCHEMBL16007019 0.83 HTT (0.54) ALDH1A1MAPTTSHRGAAPRKCZ
SCHEMBL1925897 0.80 CCNC (0.39) ALDH1A1MAPTCYP3A4TP53
SCHEMBL1925378 0.80 MAPT (0.41) ALDH1A1MAPTHSD17B10GAAKDM4E
SCHEMBL4482331 0.79 MEN1 (0.51) ALDH1A1MAPTMAPK1GAAPRKCZ
SCHEMBL27969448 0.75 ALDH1A1 (0.46) ALDH1A1MAPTHSD17B10TSHRGAA
SCHEMBL11551922 0.72 BRS3 (0.33) CNR2
SCHEMBL27688576 0.72 CYP19A1 (0.43) MAPTHSD17B10GAAPRKCZLMNA
SCHEMBL13712889 0.72 GAA (0.47) ALDH1A1MAPTHSD17B10TSHRMAPK1
SCHEMBL18956223 0.72 KMO (0.41)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2794569-A1 HETEROCYCLIC UREA COMPOUNDS Biota Europe Ltd (GB) 2014-10-29 EP disclosed
WO-2013091011-A1 HETEROCYCLIC UREA COMPOUNDS BIOTA EUROPE LTD (GB) 2013-06-27 WO disclosed
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
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-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
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 ALDH1A1 1699/4885MAPT 1988/4885HSD17B10 4447/4885

“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.