SCHEMBL5809487

SCHEMBL5809487

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

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 11/20 0.68
GAA P10253 10/20 0.68
ALDH1A1 P00352 9/20 0.68
HPGD P15428 7/20 0.68
CASP1 P29466 6/20 0.65
HSD17B10 Q99714 6/20 0.65
CASP7 P55210 5/20 0.65
GLA P06280 4/20 0.65
TSHR P16473 2/20 0.59
NOTCH1 P46531 1/20 0.50
GSK3A P49840 1/20 0.50
GSK3B P49841 1/20 0.50
RECQL P46063 1/20 0.49
MAPT P10636 2/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
EGFR P00533 1/20 0.47
ERBB2 P04626 1/20 0.47
PDGFRB P09619 1/20 0.47
KDR P35968 1/20 0.47

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
SCHEMBL5822775 1.00 KDM4E (0.68) KDM4EGAAALDH1A1HPGDCASP1
SCHEMBL6029380 1.00 KDM4E (0.68) KDM4EGAAALDH1A1HPGDCASP1
SCHEMBL6028714 0.94 KDM4E (0.74) KDM4EGAAALDH1A1HPGDCASP1
SCHEMBL5810136 0.94 KDM4E (0.74) KDM4EGAAALDH1A1HPGDCASP1
SCHEMBL5812956 0.93 KDM4E (0.68) KDM4EGAAALDH1A1HPGDCASP1
SCHEMBL5823846 0.93 KDM4E (0.59) KDM4EGAAALDH1A1HPGDCASP1
SCHEMBL6028738 0.92 KDM4E (0.62) KDM4EGAAALDH1A1HPGDCASP1
SCHEMBL6028131 0.91 KDM4E (0.65) KDM4EGAAALDH1A1HPGDCASP1
SCHEMBL6028730 0.91 KDM4E (0.54) KDM4EGAAALDH1A1HPGDCASP1
SCHEMBL6465844 0.90 KDM4E (0.60) 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 7 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
WO-2006065842-A2 5,6,7,8-TETRAHYDROQUINOLINES AND RELATED COMPOUNDS AND USES THEREOF SYNTA PHARMACEUTICALS CORP. (US) 2006-06-22 WO disclosed
EP-1663227-A2 DIHYDROPYRIDINE COMPOUNDS FOR TREATING OR PREVENTING METABOLIC DISORDERS Synta Pharmaceuticals Corporation (US) 2006-06-07 EP disclosed
US-20050203119-A1 Dihydropyridine compounds for treating or preventing metabolic disorders SYNTA PHARMACEUTICAL CORP. 2005-09-15 US disclosed
WO-2005025507-A2 DIHYDROPYRIDINE COMPOUNDS FOR TREATING OR PREVENTING METABOLIC DISORDERS SYNTA PHAMACEUTICALS CORP. (US) 2005-03-24 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-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.