SCHEMBL6029649

SCHEMBL6029649

CC1(C)CC(=O)C2=C(C1)NC(COCCN)=C([N+](=O)[O-])C2c1cccnc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.54
GAA P10253 7/20 0.54
ALDH1A1 P00352 7/20 0.54
HPGD P15428 6/20 0.54
HSD17B10 Q99714 5/20 0.54
GLA P06280 4/20 0.54
CASP1 P29466 3/20 0.54
CASP7 P55210 3/20 0.54
MAPT P10636 4/20 0.51
GSK3A P49840 2/20 0.50
GSK3B P49841 2/20 0.50
TSHR P16473 3/20 0.45
GALK1 P51570 1/20 0.40
NOTCH1 P46531 2/20 0.40
CYP3A4 P08684 3/20 0.39
CYP2C9 P11712 3/20 0.39
CYP2C19 P33261 2/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
CYP1A2 P05177 1/20 0.39

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
SCHEMBL6466352 0.85 KDM4E (0.59) KDM4EGAAALDH1A1HPGDHSD17B10
SCHEMBL6028732 0.85 GAA (0.59) KDM4EGAAALDH1A1HPGDHSD17B10
SCHEMBL6029281 0.84 ALDH1A1 (0.69) KDM4EGAAALDH1A1HPGDHSD17B10
SCHEMBL6028738 0.83 KDM4E (0.62) KDM4EGAAALDH1A1HPGDHSD17B10
SCHEMBL6465844 0.83 KDM4E (0.60) KDM4EGAAALDH1A1HPGDHSD17B10
SCHEMBL6028691 0.83 KDM4E (0.59) KDM4EGAAALDH1A1HPGDHSD17B10
SCHEMBL6465283 0.82 KDM4E (0.61) KDM4EGAAALDH1A1HPGDHSD17B10
SCHEMBL5809487 0.82 KDM4E (0.68) KDM4EGAAALDH1A1HPGDHSD17B10
SCHEMBL6029380 0.82 KDM4E (0.68) KDM4EGAAALDH1A1HPGDHSD17B10
SCHEMBL5822775 0.82 KDM4E (0.68) KDM4EGAAALDH1A1HPGDHSD17B10

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.