SCHEMBL3592906

SCHEMBL3592906

COc1cccc(CNc2c(C)c(C(=O)c3ccc([N+](=O)[O-])c(OC)c3)n3ccccc23)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.44
KMT2A Q03164 5/20 0.44
MAPK1 P28482 3/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 8/20 0.44
MEN1 O00255 3/20 0.43
POLB P06746 1/20 0.43
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
THRB P10828 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
RXFP1 Q9HBX9 1/20 0.39
KDM4E B2RXH2 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
FBP1 P09467 1/20 0.39
NPC1 O15118 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
GAA P10253 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
SCHEMBL3605138 0.86 ALDH1A1 (0.46) ALDH1A1KMT2AMAPK1LMNAMAPT
SCHEMBL3603358 0.84 ALDH1A1 (0.44) ALDH1A1KMT2AMAPK1LMNAMAPT
SCHEMBL3605522 0.84 ALDH1A1 (0.52) ALDH1A1KMT2AMAPK1LMNAMAPT
SCHEMBL3604057 0.83 ALDH1A1 (0.51) ALDH1A1KMT2AMAPK1LMNAMAPT
SCHEMBL13165756 0.81 ALDH1A1 (0.56) ALDH1A1KMT2AMAPK1LMNAMAPT
SCHEMBL3597150 0.81 ALDH1A1 (0.51) ALDH1A1KMT2AMAPK1LMNAMAPT
SCHEMBL3602715 0.80 ALDH1A1 (0.44) ALDH1A1KMT2AMAPTPOLBHDAC8
SCHEMBL6219610 0.80 ALDH1A1 (0.44) ALDH1A1KMT2AMAPTPOLBHDAC8
SCHEMBL3610960 0.79 ALDH1A1 (0.47) ALDH1A1KMT2AMAPK1LMNAMAPT
SCHEMBL3587817 0.79 MAPT (0.54) ALDH1A1KMT2AMAPK1LMNAMAPT

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 7 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
EP-1495023-A1 NOVEL 1,2,3-SUBSTITUTED INDOLIZINE DERIVATIVES, INHIBITORS OF FGFS, METHOD FOR MAKING SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME Sanofi-Aventis (FR) 2005-01-12 EP disclosed
WO-2003084956-A1 NOVEL 1,2,3-SUBSTITUTED INDOLIZINE DERIVATIVES, INHIBITORS OF FGFS, METHOD FOR MAKING SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SANOFI-AVENTIS (FR) 2003-10-16 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 (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 1784/4885KMT2A 4249/4885MAPK1 878/4885
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 1502/4885KMT2A 3830/4885MAPK1 278/4885

“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.