SCHEMBL3944784

SCHEMBL3944784

COc1cc(C(=O)c2c(C)c(C(=O)O)c3c(O)cccn23)ccc1[N+](=O)[O-]

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.40
▸ MAPK1 P28482 3/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ MAPT P10636 7/20 0.39
▸ GAA P10253 2/20 0.39
▸ HTT P42858 1/20 0.39
▸ TTR P02766 2/20 0.38
▸ ABCB1 P08183 3/20 0.38
▸ TDP1 Q9NUW8 2/20 0.38
▸ ABCC1 P33527 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ TSHR P16473 2/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ TPMT P51580 1/20 0.36
▸ HPSE Q9Y251 1/20 0.36
▸ CTDSP1 Q9GZU7 1/20 0.36
▸ SLC22A6 Q4U2R8 1/20 0.36
▸ SLC22A8 Q8TCC7 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
SCHEMBL3944781 1.00 ALDH1A1 (0.40) ALDH1A1MAPK1KMT2ALMNAMAPT
SCHEMBL4118022 0.92 ALDH1A1 (0.41) ALDH1A1MAPK1KMT2ALMNAMAPT
SCHEMBL4118024 0.92 ALDH1A1 (0.41) ALDH1A1MAPK1KMT2ALMNAMAPT
SCHEMBL4148617 0.85 MYC (0.43) ALDH1A1MAPK1KMT2ALMNAMAPT
SCHEMBL4148613 0.85 MYC (0.43) ALDH1A1MAPK1KMT2ALMNAMAPT
SCHEMBL3599610 0.84 ALDH1A1 (0.52) ALDH1A1MAPK1KMT2ALMNAMAPT
SCHEMBL3949474 0.79 ALDH1A1 (0.40) ALDH1A1MAPK1KMT2ALMNAMAPT
SCHEMBL3949479 0.79 ALDH1A1 (0.40) ALDH1A1MAPK1KMT2ALMNAMAPT
SCHEMBL3595052 0.78 ALDH1A1 (0.54) ALDH1A1MAPK1KMT2ALMNAMAPT
SCHEMBL13165756 0.78 ALDH1A1 (0.56) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7553845-B2 Substituted indolizine 1,2,3,6,7,8 derivatives, FGFs inhibitors, a method for the preparation thereof and pharmaceutical compositions containing said derivatives SANOFI-AVENTIS (FR) 2009-06-30 — — US disclosed
US-20060199962-A1 Substituted indolizine 1,2,3,6,7,8 derivatives, FGFs inhibitors, a method for the preparation thereof and pharmaceutical compositions containing said derivatives SANOFI-AVENTIS (FR) 2006-09-07 — — 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-20060199962-A1 Substituted indolizine 1,2,3,6,7,8 derivatives, FGFs inhibitors, a method for the preparation thereof and pharmaceutical compositions containing said derivatives FGF1, FGF2, FGFR1 ALDH1A1 724/4885MAPK1 173/4885KMT2A 2957/4885

“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.

Send feedback