SCHEMBL7550962

SCHEMBL7550962

CCNC(=O)CC1CN(Cc2cc(OC)cc(OC)c2)C(=O)[C@H](CC(C)C)N1C(=O)NC1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.44
MEN1 O00255 2/20 0.43
ABCG2 Q9UNQ0 1/20 0.37
ALDH1A1 P00352 2/20 0.35
EPHX2 P34913 1/20 0.35
CYP1A2 P05177 2/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2C19 P33261 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
CTSD P07339 1/20 0.34
APP P05067 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
LMNA P02545 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 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
SCHEMBL7550960 1.00 KMT2A (0.44) KMT2AMEN1ABCG2ALDH1A1EPHX2
SCHEMBL7642333 0.92 KMT2A (0.42) KMT2AMEN1ABCG2ALDH1A1CYP1A2
SCHEMBL7639660 0.92 KMT2A (0.42) KMT2AMEN1ABCG2ALDH1A1CYP1A2
SCHEMBL7639665 0.92 KMT2A (0.42) KMT2AMEN1ABCG2ALDH1A1CYP1A2
SCHEMBL7544156 0.92 KMT2A (0.42) KMT2AMEN1ABCG2ALDH1A1CYP1A2
SCHEMBL7546336 0.92 KMT2A (0.43) KMT2AMEN1ABCG2ALDH1A1EPHX2
SCHEMBL7546331 0.92 KMT2A (0.43) KMT2AMEN1ABCG2ALDH1A1EPHX2
SCHEMBL7550660 0.92 KMT2A (0.46) KMT2AMEN1ABCG2ALDH1A1EPHX2
SCHEMBL7550661 0.92 KMT2A (0.46) KMT2AMEN1ABCG2ALDH1A1EPHX2
SCHEMBL7639653 0.92 KMT2A (0.46) KMT2AMEN1ABCG2ALDH1A1EPHX2

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-6462046-B2 NON-THIAZOLIDINEDIONE PPARGAMMA AGONISTS; USEFUL IN MODULATION OF BLOOD GLUCOSE AND THE INCREASE OF INSULIN SENSITIVITY IN MAMMALS ADVANCED SYNTECH, LLC 2002-10-08 US claimed
US-20020082263-A1 Heterocycle derivatives as PPAR-gamma agonists ADVANCED SYNTECH LLC 2002-06-27 US claimed
US-6462046-B2 NON-THIAZOLIDINEDIONE PPARGAMMA AGONISTS; USEFUL IN MODULATION OF BLOOD GLUCOSE AND THE INCREASE OF INSULIN SENSITIVITY IN MAMMALS ADVANCED SYNTECH, LLC 2002-10-08 US 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.