SCHEMBL1369181

SCHEMBL1369181

CC(C(=O)O)c1cnc(C(=O)c2ccc(NCc3ccc(Cl)c(Cl)c3)cc2)c2ccccc12

nearest known ligand 0.70

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 15/20 0.70
FFAR1 O14842 2/20 0.45
S1PR1 P21453 1/20 0.42
NR1H2 P55055 1/20 0.41
NR1H3 Q13133 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
SCHEMBL1370613 0.90 PTGDR2 (0.57) PTGDR2
SCHEMBL1366789 0.85 PTGDR2 (0.73) PTGDR2
SCHEMBL1369878 0.84 PTGDR2 (0.70) PTGDR2FFAR1
SCHEMBL1368832 0.83 PTGDR2 (0.68) PTGDR2
SCHEMBL1370449 0.83 PTGDR2 (0.68) PTGDR2
SCHEMBL1369865 0.83 PTGDR2 (1.00) PTGDR2
SCHEMBL1367421 0.80 PTGDR2 (0.70) PTGDR2
SCHEMBL1367423 0.78 PTGDR2 (0.44) PTGDR2
SCHEMBL1369395 0.77 PTGDR2 (0.57) PTGDR2
SCHEMBL1369027 0.74 PTGS1 (0.48) PTGDR2

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-20110288293-A1 ISOQUINOLINE DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD. (JP) 2011-11-24 US disclosed
EP-2377851-A1 ISOQUINOLINE DERIVATIVE Taisho Pharmaceutical Co., Ltd. (JP) 2011-10-19 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-20110288293-A1 ISOQUINOLINE DERIVATIVE HRH1, HRH2, HRH4 PTGDR2 189/4885FFAR1 1844/4885S1PR1 2239/4885

“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.