SCHEMBL7243279

SCHEMBL7243279

CCOC(=O)c1sc(SC)c2c1CC/C(=C\N(C)C)C2=O

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.60
MEN1 O00255 1/20 0.60
KMT2A Q03164 1/20 0.60
KDM4E B2RXH2 4/20 0.52
ADORA3 P0DMS8 1/20 0.47
ADORA2A P29274 1/20 0.41
ALDH1A1 P00352 3/20 0.39
POLB P06746 2/20 0.39
ESR1 P03372 1/20 0.39
TSHR P16473 1/20 0.39
NR4A1 P22736 1/20 0.39
HSD17B10 Q99714 1/20 0.39
LMNA P02545 2/20 0.38
MAPT P10636 1/20 0.38
PKM P14618 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
CCNC P24863 1/20 0.36
CDK8 P49336 1/20 0.36
CDK19 Q9BWU1 1/20 0.36

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
SCHEMBL7243282 1.00 NPSR1 (0.60) NPSR1MEN1KMT2AKDM4EADORA3
SCHEMBL26954308 1.00 NPSR1 (0.60) NPSR1MEN1KMT2AKDM4EADORA3
SCHEMBL25625606 0.84 MEN1 (0.42) NPSR1MEN1KMT2AKDM4EADORA2A
SCHEMBL7250825 0.83 KDM4E (0.54) NPSR1MEN1KMT2AKDM4EALDH1A1
SCHEMBL7250823 0.83 KDM4E (0.54) NPSR1MEN1KMT2AKDM4EALDH1A1
SCHEMBL7244568 0.75 NPSR1 (0.95) NPSR1MEN1KMT2AKDM4EADORA3
SCHEMBL1857463 0.75 NPSR1 (1.00) NPSR1MEN1KMT2AKDM4EADORA3
SCHEMBL7246805 0.73 MAPT (0.36) NPSR1MEN1KMT2AKDM4EADORA2A
SCHEMBL7246808 0.73 MAPT (0.36) NPSR1MEN1KMT2AKDM4EADORA2A
SCHEMBL2561361 0.73 MEN1 (0.59) NPSR1MEN1KMT2AKDM4EADORA3

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030158245-A1 Fused heterocyclic derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2003-08-21 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-20030158245-A1 Fused heterocyclic derivatives, their production and use TST, STS, AHR NPSR1 857/4885MEN1 3625/4885KMT2A 3605/4885

“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.