SCHEMBL6028869

SCHEMBL6028869

CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)C1c1cccnc1

nearest known ligand 0.88

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 15/20 0.88
GAA P10253 13/20 0.88
ALDH1A1 P00352 12/20 0.88
HPGD P15428 10/20 0.88
CASP1 P29466 9/20 0.84
HSD17B10 Q99714 9/20 0.84
CASP7 P55210 8/20 0.84
GLA P06280 5/20 0.84
TSHR P16473 2/20 0.68
RECQL P46063 1/20 0.67
NOTCH1 P46531 1/20 0.63
MAPT P10636 1/20 0.61
MAPK1 P28482 1/20 0.61
MEN1 O00255 1/20 0.59
KMT2A Q03164 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.58
NPSR1 Q6W5P4 1/20 0.57
USP2 O75604 1/20 0.57
ALOX15 P16050 1/20 0.57
MCL1 Q07820 1/20 0.57

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
SCHEMBL3320682 0.92 KDM4E (1.00) KDM4EGAAALDH1A1HPGDCASP1
SCHEMBL3320895 0.90 KDM4E (0.81) KDM4EGAAALDH1A1HPGDCASP1
SCHEMBL20657021 0.88 KDM4E (0.77) KDM4EGAAALDH1A1HPGDCASP1
SCHEMBL6028874 0.86 GAA (0.67) KDM4EGAAALDH1A1HPGDCASP1
SCHEMBL5810136 0.86 KDM4E (0.74) KDM4EGAAALDH1A1HPGDCASP1
SCHEMBL5823844 0.86 KDM4E (0.66) KDM4EGAAALDH1A1HPGDCASP1
SCHEMBL3325553 0.85 ALDH1A1 (1.00) KDM4EGAAALDH1A1HPGDCASP1
SCHEMBL5812956 0.85 KDM4E (0.68) KDM4EGAAALDH1A1HPGDCASP1
SCHEMBL5809487 0.85 KDM4E (0.68) KDM4EGAAALDH1A1HPGDCASP1
SCHEMBL6029380 0.85 KDM4E (0.68) KDM4EGAAALDH1A1HPGDCASP1

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
EP-1663227-A2 DIHYDROPYRIDINE COMPOUNDS FOR TREATING OR PREVENTING METABOLIC DISORDERS Synta Pharmaceuticals Corporation (US) 2006-06-07 EP claimed
US-20050203119-A1 Dihydropyridine compounds for treating or preventing metabolic disorders SYNTA PHARMACEUTICAL CORP. 2005-09-15 US claimed
WO-2005025507-A2 DIHYDROPYRIDINE COMPOUNDS FOR TREATING OR PREVENTING METABOLIC DISORDERS SYNTA PHAMACEUTICALS CORP. (US) 2005-03-24 WO claimed
US-20050203119-A1 Dihydropyridine compounds for treating or preventing metabolic disorders SYNTA PHARMACEUTICAL CORP. 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 (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-20050203119-A1 Dihydropyridine compounds for treating or preventing metabolic disorders SLC5A2, SLC5A1, QDPR KDM4E 2337/4885GAA 230/4885ALDH1A1 416/4885

“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.