SCHEMBL3604057

SCHEMBL3604057

COc1cc(C(=O)c2c(C)c(NC(C)=O)c3ccccn23)ccc1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.51
MAPK1 P28482 5/20 0.51
LMNA P02545 5/20 0.51
KMT2A Q03164 4/20 0.51
MAPT P10636 8/20 0.44
MEN1 O00255 3/20 0.44
TDP1 Q9NUW8 3/20 0.43
GAA P10253 2/20 0.43
HTT P42858 2/20 0.43
CYP3A4 P08684 1/20 0.41
TSHR P16473 1/20 0.41
RXFP1 Q9HBX9 2/20 0.40
NPC1 O15118 1/20 0.39
ATM Q13315 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TP53 P04637 1/20 0.39
ABCB1 P08183 2/20 0.39

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
SCHEMBL3605522 0.91 ALDH1A1 (0.52) ALDH1A1MAPK1LMNAKMT2AMAPT
SCHEMBL3610960 0.88 ALDH1A1 (0.47) ALDH1A1MAPK1LMNAKMT2AMAPT
SCHEMBL3587817 0.88 MAPT (0.54) ALDH1A1MAPK1LMNAKMT2AMAPT
SCHEMBL13165756 0.88 ALDH1A1 (0.56) ALDH1A1MAPK1LMNAKMT2AMAPT
SCHEMBL3597150 0.88 ALDH1A1 (0.51) ALDH1A1MAPK1LMNAKMT2AMAPT
SCHEMBL3605138 0.87 ALDH1A1 (0.46) ALDH1A1MAPK1LMNAKMT2AMAPT
SCHEMBL3595052 0.86 ALDH1A1 (0.54) ALDH1A1MAPK1LMNAKMT2AMAPT
SCHEMBL3593015 0.86 ALDH1A1 (0.54) ALDH1A1MAPK1LMNAKMT2AMAPT
SCHEMBL3943236 0.85 ALDH1A1 (0.53) ALDH1A1MAPK1LMNAKMT2AMAPT
SCHEMBL3587447 0.85 MAPK1 (0.53) ALDH1A1MAPK1LMNAKMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7803811-B2 1,2,3-substituted indolizine derivatives, inhibitors of FGFs, method for preparing them and pharmaceutical compositions containing them SANOFI-AVENTIS (FR) 2010-09-28 US disclosed
US-20090023770-A1 Novel 1,2,3-Substituted Indolizine Derivatives, Inhibitors of FGFs, Method for Preparing Them and Pharmaceutical Compositions Containing Them SANOFI-AVENTIS (FR) 2009-01-22 US disclosed
US-7442708-B2 1,2,3-substituted indolizine derivatives, inhibitors of fgfs, method for making same and pharmaceutical compositions containing same SANOFI-AVENTIS (FR) 2008-10-28 US disclosed
US-20050203126-A1 Novel 1,2,3-substituted indolizine derivatives, inhibitors of fgfs, method for making same and pharmaceutical compositions containing same SANOFI (FR) 2005-09-15 US disclosed
EP-1495023-B1 NOVEL 1,2,3-SUBSTITUTED INDOLIZINE DERIVATIVES, INHIBITORS OF FGFS, METHOD FOR MAKING SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SANOFI AVENTIS (FR) 2005-09-07 EP 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 (2 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-20050203126-A1 Novel 1,2,3-substituted indolizine derivatives, inhibitors of fgfs, method for making same and pharmaceutical compositions containing same FGFR3, FGFR1, NTRK3 ALDH1A1 1784/4885MAPK1 878/4885LMNA 4129/4885
US-20090023770-A1 Novel 1,2,3-Substituted Indolizine Derivatives, Inhibitors of FGFs, Method for Preparing Them and Pharmaceutical Compositions Containing Them FGF2, FGF1, FGFR1 ALDH1A1 1502/4885MAPK1 278/4885LMNA 3251/4885

“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.