SCHEMBL3209831

SCHEMBL3209831

COC(=O)c1ccnc(-c2cccc3c(C)c(Cc4cccc(C(F)(F)F)c4)sc23)c1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 2/20 0.43
SCD O00767 4/20 0.42
MRGPRX4 Q96LA9 1/20 0.42
GPR52 Q9Y2T5 8/20 0.42
KDM4C Q9H3R0 2/20 0.41
KDM5B Q9UGL1 1/20 0.39
PHGDH O43175 1/20 0.38
KDM4E B2RXH2 1/20 0.38
KDM6B O15054 1/20 0.38
KDM5C P41229 1/20 0.38
KDM2A Q9Y2K7 1/20 0.38
KDM3A Q9Y4C1 1/20 0.38

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
SCHEMBL1850776 0.97 KDM4C (0.46) ROCK1SCDMRGPRX4GPR52KDM4C
SCHEMBL1849782 0.93 KDM4C (0.43) ROCK1SCDMRGPRX4GPR52KDM4C
SCHEMBL1856110 0.90 KDM4C (0.51) ROCK1SCDMRGPRX4GPR52KDM4C
SCHEMBL3217369 0.90 GPR52 (0.50) ROCK1GPR52KDM4C
SCHEMBL1853064 0.87 KDM4C (0.48) ROCK1MRGPRX4GPR52KDM4C
SCHEMBL1856629 0.87 GPR52 (0.56) GPR52
SCHEMBL3210823 0.82 GPR52 (0.61) SCDMRGPRX4GPR52
SCHEMBL1851302 0.82 KDM4E (0.46) ROCK1KDM4CKDM5BKDM4EKDM6B
SCHEMBL3198407 0.81 KDM4E (0.45) ROCK1KDM4CKDM5BKDM4EKDM6B
SCHEMBL1852186 0.81 GPR52 (0.56) ROCK1SCDMRGPRX4GPR52KDM4C

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-20100041891-A1 AMIDE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-02-18 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-20100041891-A1 AMIDE COMPOUND GPR52, GPR132, NR5A2 ROCK1 2151/4885SCD 3465/4885MRGPRX4 287/4885

“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.