SCHEMBL5822150

SCHEMBL5822150

CCOC(=O)C1=C(COCCN)NC2=C(C(=O)CC(C)(C)C2)C1c1cccc(N)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 12/20 0.51
GAA P10253 7/20 0.51
ALDH1A1 P00352 10/20 0.50
CASP1 P29466 5/20 0.50
HSD17B10 Q99714 4/20 0.50
RECQL P46063 1/20 0.50
HPGD P15428 5/20 0.49
CASP7 P55210 4/20 0.49
GLA P06280 2/20 0.49
NOTCH1 P46531 4/20 0.48
USP2 O75604 2/20 0.47
ALOX15 P16050 1/20 0.47
MCL1 Q07820 1/20 0.47
EGFR P00533 1/20 0.46
ERBB2 P04626 1/20 0.46
PDGFRB P09619 1/20 0.46
KDR P35968 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
PKM P14618 1/20 0.45
TSHR P16473 3/20 0.44

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
SCHEMBL6029643 0.92 KDM4E (0.54) KDM4EGAAALDH1A1CASP1HSD17B10
SCHEMBL6027804 0.92 KDM4E (0.52) KDM4EGAAALDH1A1CASP1HSD17B10
SCHEMBL5809315 0.91 KDM4E (0.51) KDM4EGAAALDH1A1CASP1HSD17B10
SCHEMBL6028247 0.90 KDM4E (0.56) KDM4EGAAALDH1A1CASP1HSD17B10
SCHEMBL6028121 0.90 KDM4E (0.54) KDM4EGAAALDH1A1CASP1HSD17B10
SCHEMBL6028949 0.89 NOTCH1 (0.58) KDM4EGAAALDH1A1CASP1HSD17B10
SCHEMBL6028475 0.89 CACNA1F (0.53) KDM4EGAAALDH1A1CASP1HSD17B10
SCHEMBL6029716 0.89 NOTCH1 (0.57) KDM4EGAAALDH1A1CASP1HSD17B10
SCHEMBL6028041 0.87 KDM4E (0.53) KDM4EGAAALDH1A1CASP1HSD17B10
SCHEMBL6028556 0.87 KDM4E (0.58) KDM4EGAAALDH1A1CASP1HSD17B10

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 5 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
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.