SCHEMBL962167

SCHEMBL962167

O=C(NCCO)c1cccc(-c2cccc(NCCc3cccc(C(F)(F)F)c3)n2)c1

nearest known ligand 0.71

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GPR52 Q9Y2T5 14/20 0.71
CDK8 P49336 1/20 0.54
MRGPRX4 Q96LA9 1/20 0.47
ALDH1A1 P00352 1/20 0.47
POLB P06746 1/20 0.47
ROCK2 O75116 1/20 0.46
ROCK1 Q13464 1/20 0.46
PARP1 P09874 1/20 0.45

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
SCHEMBL958593 0.87 GPR52 (0.53) GPR52CDK8MRGPRX4ALDH1A1
SCHEMBL961978 0.83 GPR52 (1.00) GPR52CDK8MRGPRX4
SCHEMBL962103 0.83 GPR52 (0.51) GPR52CDK8ALDH1A1
SCHEMBL3032487 0.77 CDK8 (0.63) GPR52CDK8ALDH1A1POLBROCK2
SCHEMBL3514281 0.76 POLB (0.76) GPR52MRGPRX4ALDH1A1POLB
SCHEMBL959442 0.74 GPR52 (0.53) GPR52CDK8PARP1
SCHEMBL3233030 0.74 NAMPT (0.64) CDK8ALDH1A1POLBPARP1
SCHEMBL3221109 0.73 GPR52 (0.72) GPR52
SCHEMBL960922 0.73 GPR52 (0.81) GPR52CDK8ALDH1A1POLBROCK2
SCHEMBL3212707 0.72 GPR52 (0.71) GPR52

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
US-20110009421-A1 COMPOUND HAVING 6-MEMBERED AROMATIC RING TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-01-13 US disclosed
US-20110009421-A1 COMPOUND HAVING 6-MEMBERED AROMATIC RING TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-01-13 US disclosed
US-20110009421-A1 COMPOUND HAVING 6-MEMBERED AROMATIC RING TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-01-13 US disclosed
EP-2253618-A1 COMPOUND HAVING 6-MEMBERED AROMATIC RING Takeda Pharmaceutical Company Limited (JP) 2010-11-24 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-20110009421-A1 COMPOUND HAVING 6-MEMBERED AROMATIC RING GPR4, NR3C2, NR5A2 GPR52 23/4885CDK8 3427/4885MRGPRX4 133/4885

“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.