Sugi Predict

Sugi Predict / Compounds / SCHEMBL3604742

SCHEMBL3604742

SCHEMBL3604742

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.46
▸ MAPK1 P28482 6/20 0.46
▸ KMT2A Q03164 4/20 0.46
▸ LMNA P02545 4/20 0.46
▸ MAPT P10636 10/20 0.39
▸ GAA P10253 3/20 0.39
▸ HTT P42858 2/20 0.39
▸ MEN1 O00255 3/20 0.38
▸ TDP1 Q9NUW8 2/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ TUBB4A P04350 2/20 0.34
▸ TUBB P07437 2/20 0.34
▸ TUBA3C P0DPH7 2/20 0.34
▸ TUBA1B P68363 2/20 0.34
▸ TUBA4A P68366 2/20 0.34
▸ TUBB4B P68371 2/20 0.34
▸ TUBB3 Q13509 2/20 0.34
▸ TUBB2A Q13885 2/20 0.34
▸ TUBB8 Q3ZCM7 2/20 0.34
▸ TUBA3E Q6PEY2 2/20 0.34

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
SCHEMBL3602116 0.88 ALDH1A1 (0.52) ALDH1A1MAPK1KMT2ALMNAMAPT
SCHEMBL3603061 0.83 ALDH1A1 (0.45) ALDH1A1MAPK1KMT2ALMNAMAPT
SCHEMBL3610960 0.83 ALDH1A1 (0.47) ALDH1A1MAPK1KMT2ALMNAMAPT
SCHEMBL13165756 0.82 ALDH1A1 (0.56) ALDH1A1MAPK1KMT2ALMNAMAPT
SCHEMBL3952683 0.81 ALDH1A1 (0.35) ALDH1A1MAPK1KMT2ALMNAMAPT
SCHEMBL3595052 0.81 ALDH1A1 (0.54) ALDH1A1MAPK1KMT2ALMNAMAPT
SCHEMBL3593015 0.81 ALDH1A1 (0.54) ALDH1A1MAPK1KMT2ALMNAMAPT
SCHEMBL3943236 0.80 ALDH1A1 (0.53) ALDH1A1MAPK1KMT2ALMNAMAPT
SCHEMBL3587447 0.80 MAPK1 (0.53) ALDH1A1MAPK1KMT2ALMNAMAPT
SCHEMBL3603358 0.79 ALDH1A1 (0.44) ALDH1A1MAPK1KMT2ALMNAMAPT

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 4 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

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 878/4885KMT2A 4249/4885
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 278/4885KMT2A 3830/4885

“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.