SCHEMBL1368795

SCHEMBL1368795

CC(C(=O)O)c1cnc(Cc2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cc2)c2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 8/20 0.50
KDM4E B2RXH2 2/20 0.50
KCNQ3 O43525 1/20 0.46
KCNQ2 O43526 1/20 0.46
KCNE1 P15382 1/20 0.46
KCNQ1 P51787 1/20 0.46
PRMT1 Q99873 1/20 0.44
CTNNB1 P35222 1/20 0.44
TCF7L2 Q9NQB0 1/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
NPC1 O15118 1/20 0.44
MAPT P10636 1/20 0.44
PKM P14618 1/20 0.44
RAB9A P51151 1/20 0.44
BCAT2 O15382 1/20 0.43
CCR2 P41597 1/20 0.43
DGAT1 O75907 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
SCHEMBL1370449 0.83 PTGDR2 (0.68) PTGDR2KCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL1370018 0.83 PTGDR2 (0.72) PTGDR2KDM4E
SCHEMBL27842534 0.78 KDM4E (0.53) PTGDR2KDM4EKCNQ3KCNQ2KCNE1
SCHEMBL1369395 0.77 PTGDR2 (0.57) PTGDR2KDM4EKCNQ3KCNQ2KCNE1
SCHEMBL12190102 0.77 KDM4E (0.72) PTGDR2KDM4EKCNQ3KCNQ2KCNE1
SCHEMBL1369034 0.76 PTGDR2 (0.52) PTGDR2MEN1KMT2ANPC1MAPT
SCHEMBL1366570 0.76 PARP1 (0.38)
SCHEMBL1369203 0.75 RAB9A (0.51) PTGDR2MEN1KMT2ANPC1MAPT
SCHEMBL1370613 0.75 PTGDR2 (0.57) PTGDR2RAB9A
SCHEMBL1367124 0.75 L3MBTL1 (0.38) NPC1RAB9A

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 189/4885KDM4E 4115/4885KCNQ3 418/4885

“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.