SCHEMBL3602590

SCHEMBL3602590

COc1cc(C(=O)c2c(-c3ccccc3)c(OC)c3ccccn23)ccc1NCC(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.40
GAA P10253 1/20 0.40
ATM Q13315 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
MAPT P10636 9/20 0.40
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 3/20 0.38
LMNA P02545 1/20 0.38
HDAC1 Q13547 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
ABCB1 P08183 3/20 0.36
HPGD P15428 1/20 0.36
USP2 O75604 1/20 0.36
POLB P06746 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ABCC9 O60706 1/20 0.36
ABCC8 Q09428 1/20 0.36
KCNJ11 Q14654 1/20 0.36
KCNJ8 Q15842 1/20 0.36
MEN1 O00255 1/20 0.35

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
SCHEMBL3593704 0.90 GAA (0.41) NPC1GAAATMRXFP1MAPT
SCHEMBL3595364 0.89 NPC1 (0.46) NPC1GAAATMRXFP1MAPT
Hydrochloric Acid SCHEMBL3601670 0.85 MAPT (0.36) NPC1GAAATMRXFP1MAPT
SCHEMBL3597910 0.82 MAPT (0.47) NPC1GAAATMRXFP1MAPT
Hydrochloric Acid SCHEMBL3604363 0.80 MAPT (0.39) NPC1GAAATMRXFP1MAPT
SCHEMBL3593134 0.79 MAPT (0.40) NPC1GAAATMRXFP1MAPT
Hydrochloric Acid SCHEMBL3604763 0.79 HPGD (0.34) NPC1GAAATMRXFP1MAPT
SCHEMBL3596576 0.79 GAA (0.46) NPC1GAAATMRXFP1MAPT
SCHEMBL11186148 0.76 MAPT (0.41) MAPTKDM4EALDH1A1HDAC1HDAC6
SCHEMBL6217961 0.76 NPC1 (0.46) NPC1GAAATMRXFP1MAPT

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 NPC1 2040/4885GAA 4090/4885ATM 3197/4885
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 NPC1 2760/4885GAA 2443/4885ATM 3401/4885

“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.