SCHEMBL3945586

SCHEMBL3945586

COc1cc(C(=O)c2c(C)c(C(=O)O)c3cc(NC(C)=O)ccn23)ccc1[N+](=O)[O-]

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.40
▸ KMT2A Q03164 8/20 0.39
▸ MAPT P10636 8/20 0.39
▸ MEN1 O00255 7/20 0.39
▸ ALDH1A1 P00352 9/20 0.38
▸ LMNA P02545 2/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.37
▸ POLB P06746 2/20 0.37
▸ GAA P10253 1/20 0.36
▸ TTR P02766 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
SCHEMBL3945589 1.00 KDM4E (0.40) KDM4EKMT2AMAPTMEN1ALDH1A1
SCHEMBL3948474 0.91 KDM4E (0.41) KDM4EKMT2AMAPTMEN1ALDH1A1
SCHEMBL3948472 0.91 KDM4E (0.41) KDM4EKMT2AMAPTMEN1ALDH1A1
SCHEMBL3941735 0.90 ALDH1A1 (0.51) KDM4EKMT2AMAPTMEN1ALDH1A1
SCHEMBL3941738 0.90 ALDH1A1 (0.51) KDM4EKMT2AMAPTMEN1ALDH1A1
SCHEMBL3953772 0.89 ALDH1A1 (0.38) KDM4EKMT2AMAPTMEN1ALDH1A1
SCHEMBL3953372 0.89 ALDH1A1 (0.38) KDM4EKMT2AMAPTMEN1ALDH1A1
SCHEMBL3949479 0.85 ALDH1A1 (0.40) KDM4EKMT2AMAPTMEN1ALDH1A1
SCHEMBL3949474 0.85 ALDH1A1 (0.40) KDM4EKMT2AMAPTMEN1ALDH1A1
SCHEMBL3947795 0.85 POLB (0.38) KDM4EKMT2AMAPTMEN1ALDH1A1

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-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
EP-1664047-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) 2006-06-07 — — EP disclosed
WO-2005028476-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) 2005-03-31 — — 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 (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 KDM4E 1804/4885KMT2A 2957/4885MAPT 2703/4885

“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.

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