SCHEMBL3944692

SCHEMBL3944692

COc1cc(C(=O)c2c(C)c(C(=O)O)c3ccc(OCc4ccccc4)cn23)ccc1N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ NPC1 O15118 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ SRD5A2 P31213 3/20 0.39
▸ NR4A1 P22736 1/20 0.39
▸ NR4A2 P43354 1/20 0.39
▸ NR4A3 Q92570 1/20 0.39
▸ SMPD1 P17405 1/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ HDAC8 Q9BY41 1/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ RXRA P19793 1/20 0.38
▸ MAOB P27338 1/20 0.38
▸ PARP10 Q53GL7 1/20 0.38

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
SCHEMBL3944817 0.86 MAPT (0.47) L3MBTL1NPC1HPGDRAB9ASMN1; SMN2
SCHEMBL3944820 0.86 MAPT (0.47) L3MBTL1NPC1HPGDRAB9ASMN1; SMN2
SCHEMBL3950773 0.85 KMT2A (0.41) L3MBTL1HPGDSMN1; SMN2MEN1ALDH1A1
SCHEMBL3943568 0.84 HTT (0.39) L3MBTL1ALDH1A1
SCHEMBL1572762 0.82 SRD5A2 (0.39) NPC1RAB9ASMN1; SMN2SRD5A2NR4A1
SCHEMBL5749185 0.82 L3MBTL1 (0.41) L3MBTL1NPC1HPGDRAB9ASMN1; SMN2
SCHEMBL3952764 0.81 KMT2A (0.35) L3MBTL1SMN1; SMN2KDM4EMEN1ALDH1A1
SCHEMBL3953363 0.81 ALDH1A1 (0.38) L3MBTL1NPC1HPGDKDM4EALDH1A1
SCHEMBL2515131 0.81 ALDH1A1 (0.45) NPC1HPGDKDM4EMEN1ALDH1A1
SCHEMBL4509609 0.79 LNPEP (0.42) HPGDSRD5A2KDM4EALDH1A1MAOB

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 L3MBTL1 4873/4885NPC1 3114/4885HPGD 2089/4885

“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