SCHEMBL7549124

SCHEMBL7549124

COc1cc(CN2C[C@H](CC(N)=O)N(C(=O)NC3CCCCC3)[C@@H](CC(C)C)C2=O)cc(OC)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.44
MEN1 O00255 2/20 0.43
ABCG2 Q9UNQ0 1/20 0.36
CTSD P07339 1/20 0.36
LMNA P02545 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPK1 P28482 1/20 0.35
CASP1 P29466 1/20 0.35
HSD17B10 Q99714 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
EPHX2 P34913 1/20 0.35
CYP1A2 P05177 2/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2C19 P33261 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
HPGD P15428 1/20 0.34
APP P05067 2/20 0.34

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
SCHEMBL7544564 1.00 KMT2A (0.44) KMT2AMEN1ABCG2CTSDLMNA
SCHEMBL7687734 1.00 KMT2A (0.44) KMT2AMEN1ABCG2CTSDLMNA
SCHEMBL7544561 1.00 KMT2A (0.44) KMT2AMEN1ABCG2CTSDLMNA
SCHEMBL7544558 1.00 KMT2A (0.44) KMT2AMEN1ABCG2CTSDLMNA
SCHEMBL7545814 0.99 KMT2A (0.43) KMT2AMEN1ABCG2CTSDLMNA
SCHEMBL7548338 0.99 KMT2A (0.43) KMT2AMEN1ABCG2CTSDLMNA
SCHEMBL7545820 0.99 KMT2A (0.43) KMT2AMEN1ABCG2CTSDLMNA
SCHEMBL7548341 0.99 KMT2A (0.43) KMT2AMEN1ABCG2CTSDLMNA
SCHEMBL7695200 0.92 KMT2A (0.45) KMT2AMEN1ABCG2LMNAKDM4E
SCHEMBL7550660 0.91 KMT2A (0.46) KMT2AMEN1ABCG2LMNAKDM4E

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
WO-2002053546-A1 HETEROCYCLE DERIVATIVES AS PPAR-GAMMA AGONISTS ADVANCED SYNTECH, LLC (US) 2002-07-11 WO claimed
US-20020082263-A1 Heterocycle derivatives as PPAR-gamma agonists ADVANCED SYNTECH LLC 2002-06-27 US claimed
WO-2002053546-A1 HETEROCYCLE DERIVATIVES AS PPAR-GAMMA AGONISTS ADVANCED SYNTECH, LLC (US) 2002-07-11 WO disclosed
US-20020082263-A1 Heterocycle derivatives as PPAR-gamma agonists ADVANCED SYNTECH LLC 2002-06-27 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-20020082263-A1 Heterocycle derivatives as PPAR-gamma agonists PPARG, PPARD, PPARA KMT2A 2543/4885MEN1 4629/4885ABCG2 520/4885

“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.