SCHEMBL5809200

SCHEMBL5809200

CCOC(=O)C1=C(COCCN)NC2=C(C(=O)CC(C)(C)C2)C1c1ccccn1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 13/20 0.60
ALDH1A1 P00352 11/20 0.60
GAA P10253 8/20 0.60
HPGD P15428 7/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
HSD17B10 Q99714 9/20 0.56
CASP1 P29466 6/20 0.56
CASP7 P55210 4/20 0.56
GLA P06280 3/20 0.56
GSK3A P49840 1/20 0.49
GSK3B P49841 1/20 0.49
RCE1 Q9Y256 1/20 0.46
RECQL P46063 1/20 0.46
NPSR1 Q6W5P4 2/20 0.46
TSHR P16473 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
HTR1A P08908 2/20 0.45
ADRA2A P08913 2/20 0.45
CHRM1 P11229 2/20 0.45

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
SCHEMBL6028136 0.89 KDM4E (0.55) KDM4EALDH1A1GAAHPGDSMN1; SMN2
SCHEMBL6028155 0.89 KDM4E (0.51) KDM4EALDH1A1GAAHPGDSMN1; SMN2
SCHEMBL6028306 0.88 KDM4E (0.49) KDM4EALDH1A1GAAHPGDSMN1; SMN2
SCHEMBL6028018 0.88 KDM4E (0.47) KDM4EALDH1A1GAAHPGDSMN1; SMN2
SCHEMBL5822519 0.87 KDM4E (0.54) KDM4EALDH1A1GAAHPGDSMN1; SMN2
SCHEMBL6028247 0.87 KDM4E (0.56) KDM4EALDH1A1GAAHPGDSMN1; SMN2
SCHEMBL6030181 0.86 KDM4E (0.51) KDM4EALDH1A1GAAHPGDSMN1; SMN2
SCHEMBL6027980 0.85 NPSR1 (0.53) KDM4EALDH1A1GAAHPGDSMN1; SMN2
SCHEMBL6029325 0.85 KDM4E (0.50) KDM4EALDH1A1GAAHPGDSMN1; SMN2
SCHEMBL6465456 0.85 KDM4E (0.49) KDM4EALDH1A1GAAHPGDSMN1; SMN2

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 2337/4885ALDH1A1 416/4885GAA 230/4885

“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.