SCHEMBL961208

SCHEMBL961208

CCOC(=O)c1cccc(-c2cccc(NCc3ccc(Cl)cc3Cl)n2)c1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 6/20 0.49
PTGDR Q13258 1/20 0.48
SLC2A1 P11166 1/20 0.46
GPR39 O43194 1/20 0.45
BRAF P15056 1/20 0.44
NPSR1 Q6W5P4 2/20 0.43
HPGD P15428 2/20 0.43
CD38 P28907 1/20 0.43
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43
KMT2A Q03164 1/20 0.43
TRPV1 Q8NER1 1/20 0.42
GABRA2 P47869 1/20 0.42
GABRB2 P47870 1/20 0.42

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
SCHEMBL960125 0.85 PTGDR (0.57) CNR1PTGDRGPR39NPSR1HPGD
SCHEMBL958637 0.84 BRAF (0.48) CNR1BRAFLMNAPOLBGABRA2
SCHEMBL958112 0.80 GPR52 (0.48) CNR1PTGDRGPR39HPGDLMNA
SCHEMBL4494699 0.78 PTGDR (0.80) PTGDR
SCHEMBL1513185 0.77 LMNA (0.44) PTGDRMEN1LMNAPOLBKMT2A
SCHEMBL1513180 0.76 LMNA (0.43) PTGDRLMNAGABRA2GABRB2
SCHEMBL961086 0.76 TDP1 (0.51) NPSR1HPGDLMNAPOLBGABRA2
SCHEMBL1513233 0.75 GABRA2 (0.40) PTGDRNPSR1HPGDLMNAGABRA2
SCHEMBL1513263 0.74 LMNA (0.43) PTGDRLMNAGABRA2GABRB2
SCHEMBL1553909 0.73 PIK3CA (0.52) CNR1BRAFLMNA

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-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 CNR1 63/4885PTGDR 528/4885SLC2A1 1702/4885

“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.