SCHEMBL6028678

SCHEMBL6028678

CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)C1c1ccccc1OC

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.66
KDM4E B2RXH2 13/20 0.64
ALDH1A1 P00352 11/20 0.64
GAA P10253 7/20 0.64
HSD17B10 Q99714 6/20 0.64
HPGD P15428 6/20 0.64
CASP1 P29466 5/20 0.64
CASP7 P55210 4/20 0.64
GLA P06280 3/20 0.64
RECQL P46063 1/20 0.62
TSHR P16473 3/20 0.58
GSK3B P49841 4/20 0.57
GSK3A P49840 1/20 0.57
CDK5 Q00535 1/20 0.57
SMN1; SMN2 Q16637 2/20 0.56
USP2 O75604 1/20 0.55
PKM P14618 1/20 0.55
TP53 P04637 1/20 0.55
BAP1 Q92560 1/20 0.54
POLB P06746 1/20 0.54

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
SCHEMBL3320598 0.91 ALDH1A1 (0.66) NPSR1KDM4EALDH1A1GAAHSD17B10
SCHEMBL3324485 0.88 KDM4E (0.73) NPSR1KDM4EALDH1A1GAAHSD17B10
SCHEMBL5815747 0.87 NPSR1 (0.67) NPSR1KDM4EALDH1A1GAAHSD17B10
SCHEMBL10953920 0.85 KDM4E (0.77) KDM4EALDH1A1GAAHSD17B10HPGD
SCHEMBL5823596 0.85 HTR1A (0.51) NPSR1KDM4EALDH1A1GAAHSD17B10
SCHEMBL20657021 0.84 KDM4E (0.77) NPSR1KDM4EALDH1A1GAAHSD17B10
SCHEMBL3325287 0.84 KDM4E (0.72) NPSR1KDM4EALDH1A1GAAHSD17B10
SCHEMBL7383959 0.82 KDM4E (0.72) NPSR1KDM4EALDH1A1GAAHSD17B10
SCHEMBL3324426 0.81 KDM4E (0.66) NPSR1KDM4EALDH1A1GAAHSD17B10
SCHEMBL3325897 0.81 KDM4E (0.68) NPSR1KDM4EALDH1A1GAAHSD17B10

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 NPSR1 703/4885KDM4E 2337/4885ALDH1A1 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.