SCHEMBL1006747

SCHEMBL1006747

CSc1sc(C(=O)O)c2c1C(=O)N(C)C2

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.55
ALDH1A1 P00352 1/20 0.55
POLB P06746 1/20 0.55
RXFP1 Q9HBX9 1/20 0.55
CCNC P24863 9/20 0.44
CDK8 P49336 9/20 0.44
CDK19 Q9BWU1 9/20 0.44
LRRK2 Q5S007 1/20 0.38
NPSR1 Q6W5P4 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
GRIA4 P48058 2/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.34
HTT P42858 1/20 0.34
GRIA2 P42262 1/20 0.33
CDK9 P50750 1/20 0.33
ROCK2 O75116 1/20 0.31

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
SCHEMBL1007107 0.81 NPSR1 (0.60) KDM4EALDH1A1POLBRXFP1NPSR1
SCHEMBL4401833 0.69 NPSR1 (0.68) KDM4EALDH1A1POLBRXFP1CCNC
SCHEMBL31564002 0.67 ALDH1A1 (0.64) KDM4EALDH1A1POLBRXFP1CCNC
SCHEMBL15364318 0.66 KDM4E (0.50) KDM4EALDH1A1POLBRXFP1CCNC
SCHEMBL7250825 0.64 KDM4E (0.54) KDM4EALDH1A1POLBRXFP1CCNC
SCHEMBL7250823 0.64 KDM4E (0.54) KDM4EALDH1A1POLBRXFP1CCNC
SCHEMBL7680675 0.63 ALDH1A1 (0.53) KDM4EALDH1A1POLBRXFP1CCNC
SCHEMBL6990354 0.62 CCNC (0.64) KDM4EALDH1A1POLBRXFP1CCNC
SCHEMBL18429106 0.62 CCNC (0.79) KDM4EALDH1A1POLBRXFP1CCNC
SCHEMBL6986479 0.62 KDM4E (0.52) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110118236-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-05-19 US disclosed
EP-2269990-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2011-01-05 EP 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-20110118236-A1 HETEROCYCLIC COMPOUND GRIN1, GRM1, GRIK1 KDM4E 3157/4885ALDH1A1 614/4885POLB 3571/4885

“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.