SCHEMBL7548341

SCHEMBL7548341

COc1cc(CN2C[C@@H](CC(N)=O)N(C(=O)NC3CCCC3)[C@H](CC(C)C)C2=O)cc(OC)c1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.43
MEN1 O00255 2/20 0.43
ABCG2 Q9UNQ0 1/20 0.35
CTSD P07339 1/20 0.34
APP P05067 3/20 0.34
SIGMAR1 Q99720 1/20 0.34
LMNA P02545 2/20 0.34
ALDH1A1 P00352 2/20 0.34
TSHR P16473 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPK1 P28482 1/20 0.34
CASP1 P29466 1/20 0.34
HSD17B10 Q99714 1/20 0.34
NPSR1 Q6W5P4 1/20 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
SCHEMBL7545820 1.00 KMT2A (0.43) KMT2AMEN1ABCG2CTSDAPP
SCHEMBL7548338 1.00 KMT2A (0.43) KMT2AMEN1ABCG2CTSDAPP
SCHEMBL7545814 1.00 KMT2A (0.43) KMT2AMEN1ABCG2CTSDAPP
SCHEMBL7687734 0.99 KMT2A (0.44) KMT2AMEN1ABCG2CTSDAPP
SCHEMBL7544561 0.99 KMT2A (0.44) KMT2AMEN1ABCG2CTSDAPP
SCHEMBL7549124 0.99 KMT2A (0.44) KMT2AMEN1ABCG2CTSDAPP
SCHEMBL7544558 0.99 KMT2A (0.44) KMT2AMEN1ABCG2CTSDAPP
SCHEMBL7544564 0.99 KMT2A (0.44) KMT2AMEN1ABCG2CTSDAPP
SCHEMBL7695200 0.92 KMT2A (0.45) KMT2AMEN1ABCG2APPSIGMAR1
SCHEMBL7645477 0.91 KMT2A (0.45) KMT2AMEN1ABCG2APPSIGMAR1

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-20020082263-A1 Heterocycle derivatives as PPAR-gamma agonists ADVANCED SYNTECH LLC 2002-06-27 US claimed
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.