SCHEMBL960922

SCHEMBL960922

N#CCCNC(=O)c1cccc(-c2cccc(OCCc3cccc(C(F)(F)F)c3)n2)c1

nearest known ligand 0.81

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GPR52 Q9Y2T5 11/20 0.81
CDK8 P49336 1/20 0.49
ROCK2 O75116 1/20 0.42
ROCK1 Q13464 1/20 0.42
ALDH1A1 P00352 1/20 0.42
POLB P06746 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42
CTSL P07711 3/20 0.42
EPHB4 P54760 1/20 0.41

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
SCHEMBL961978 0.89 GPR52 (1.00) GPR52CDK8
SCHEMBL961663 0.89 GPR52 (0.64) GPR52CDK8CTSL
SCHEMBL959095 0.85 GPR52 (0.59) GPR52ROCK2ALDH1A1
SCHEMBL12918976 0.84 GPR52 (0.56) GPR52CDK8ALDH1A1POLBCTSL
SCHEMBL960607 0.82 GPR52 (0.74) GPR52CDK8ALDH1A1
SCHEMBL959767 0.77 GPR52 (0.80) GPR52CDK8
SCHEMBL959337 0.75 GPR52 (0.75) GPR52
SCHEMBL961206 0.75 GPR52 (0.63) GPR52ROCK2ROCK1ALDH1A1
SCHEMBL12919123 0.74 GPR52 (0.62) GPR52ALDH1A1POLB
SCHEMBL959859 0.74 GPR52 (0.73) GPR52ROCK2ROCK1ALDH1A1

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 3427/4885ROCK2 1683/4885

“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.