SCHEMBL3953772

SCHEMBL3953772

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

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ KMT2A Q03164 8/20 0.36
▸ MEN1 O00255 7/20 0.36
▸ MAPT P10636 6/20 0.36
▸ LMNA P02545 2/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ GNRHR P30968 1/20 0.35
▸ POLB P06746 1/20 0.34
▸ PRMT1 Q99873 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.33
▸ TTR P02766 1/20 0.33

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
SCHEMBL3953372 1.00 ALDH1A1 (0.38) ALDH1A1KDM4EKMT2AMEN1MAPT
SCHEMBL3941735 0.89 ALDH1A1 (0.51) ALDH1A1KDM4EKMT2AMEN1MAPT
SCHEMBL3941738 0.89 ALDH1A1 (0.51) ALDH1A1KDM4EKMT2AMEN1MAPT
SCHEMBL3945586 0.89 KDM4E (0.40) ALDH1A1KDM4EKMT2AMEN1MAPT
SCHEMBL3945589 0.89 KDM4E (0.40) ALDH1A1KDM4EKMT2AMEN1MAPT
SCHEMBL3948474 0.87 KDM4E (0.41) ALDH1A1KDM4EKMT2AMEN1MAPT
SCHEMBL3948472 0.87 KDM4E (0.41) ALDH1A1KDM4EKMT2AMEN1MAPT
SCHEMBL3952683 0.83 ALDH1A1 (0.35) ALDH1A1KDM4EKMT2AMEN1MAPT
SCHEMBL3949479 0.82 ALDH1A1 (0.40) ALDH1A1KDM4EKMT2AMEN1MAPT
SCHEMBL3949474 0.82 ALDH1A1 (0.40) ALDH1A1KDM4EKMT2AMEN1MAPT

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 724/4885KDM4E 1804/4885KMT2A 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.

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