SCHEMBL7250823

SCHEMBL7250823

CSc1sc(C(=O)O)c2c1C(=O)/C(=C/N(C)C)CC2

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.54
ALDH1A1 P00352 1/20 0.54
POLB P06746 1/20 0.54
RXFP1 Q9HBX9 1/20 0.54
CCNC P24863 12/20 0.47
CDK8 P49336 12/20 0.47
CDK19 Q9BWU1 12/20 0.47
NPSR1 Q6W5P4 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CDK9 P50750 1/20 0.36
GAA P10253 1/20 0.33
HTT P42858 1/20 0.33
LMNA P02545 1/20 0.32
GRIA4 P48058 1/20 0.32

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
SCHEMBL7250825 1.00 KDM4E (0.54) KDM4EALDH1A1POLBRXFP1CCNC
SCHEMBL7243279 0.83 NPSR1 (0.60) KDM4EALDH1A1POLBRXFP1CCNC
SCHEMBL7243282 0.83 NPSR1 (0.60) KDM4EALDH1A1POLBRXFP1CCNC
SCHEMBL1060812 0.71 KDM4E (1.00) KDM4EALDH1A1POLBRXFP1CCNC
SCHEMBL7680675 0.68 ALDH1A1 (0.53) KDM4EALDH1A1POLBRXFP1CCNC
SCHEMBL22803137 0.68 DUSP10 (0.37) KDM4EALDH1A1MEN1KMT2AGAA
SCHEMBL6990680 0.66 KDM4E (0.50) KDM4EALDH1A1POLBRXFP1CCNC
SCHEMBL6986479 0.65 KDM4E (0.52) KDM4EALDH1A1POLBRXFP1CCNC
SCHEMBL18429106 0.65 CCNC (0.79) KDM4EALDH1A1POLBRXFP1CCNC
SCHEMBL6990354 0.65 CCNC (0.64) KDM4EALDH1A1POLBRXFP1CCNC

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 KDM4E 2331/4885ALDH1A1 327/4885POLB 4125/4885

“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.