SCHEMBL1370449

SCHEMBL1370449

CC(C(=O)O)c1cnc(C(=O)c2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cc2)c2ccccc12

nearest known ligand 0.68

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 18/20 0.68
KCNQ3 O43525 1/20 0.48
KCNQ2 O43526 1/20 0.48
KCNE1 P15382 1/20 0.48
KCNQ1 P51787 1/20 0.48

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
SCHEMBL1369395 0.91 PTGDR2 (0.57) PTGDR2KCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL1368832 0.90 PTGDR2 (0.68) PTGDR2
SCHEMBL1370613 0.85 PTGDR2 (0.57) PTGDR2
SCHEMBL1366789 0.84 PTGDR2 (0.73) PTGDR2
SCHEMBL1368795 0.83 PTGDR2 (0.50) PTGDR2KCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL1369181 0.83 PTGDR2 (0.70) PTGDR2
SCHEMBL1367421 0.83 PTGDR2 (0.70) PTGDR2
SCHEMBL1367254 0.81 PTGDR2 (1.00) PTGDR2
SCHEMBL1369878 0.78 PTGDR2 (0.70) PTGDR2
SCHEMBL1367148 0.78 ALDH1A1 (0.49) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8461329-B2 Isoquinoline derivative TAISHO PHARMACEUTICAL CO., LTD. (JP) 2013-06-11 US disclosed
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 189/4885KCNQ3 418/4885KCNQ2 195/4885

“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.