SCHEMBL1368832

SCHEMBL1368832

CC(C(=O)O)c1cnc(C(=O)c2ccc(NC(=O)Nc3ccc(Cl)c(Cl)c3)cc2)c2ccccc12

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 16/20 0.68
MEN1 O00255 2/20 0.45
NPC1 O15118 2/20 0.45
KMT2A Q03164 2/20 0.45
RAB9A P51151 1/20 0.45
EPHX1 P07099 2/20 0.44
EPHX2 P34913 2/20 0.44
CBS P35520 1/20 0.44
LMNA P02545 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
CHRM1 P11229 1/20 0.43
SLC6A2 P23975 1/20 0.43
PDE4A P27815 1/20 0.43
ADRA1A P35348 1/20 0.43
OPRM1 P35372 1/20 0.43
HTT P42858 1/20 0.43
PDE3A Q14432 1/20 0.43
NLRP3 Q96P20 1/20 0.43

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 0.90 PTGDR2 (0.68) PTGDR2
SCHEMBL1370613 0.89 PTGDR2 (0.57) PTGDR2RAB9A
SCHEMBL1366789 0.84 PTGDR2 (0.73) PTGDR2MEN1KMT2ALMNAHTT
SCHEMBL1369181 0.83 PTGDR2 (0.70) PTGDR2
SCHEMBL1369395 0.83 PTGDR2 (0.57) PTGDR2MEN1NPC1KMT2ARAB9A
SCHEMBL1367421 0.83 PTGDR2 (0.70) PTGDR2KMT2A
SCHEMBL1367192 0.81 PTGDR2 (1.00) PTGDR2
SCHEMBL1369878 0.78 PTGDR2 (0.70) PTGDR2HTT
SCHEMBL1367148 0.78 ALDH1A1 (0.49) PTGDR2MEN1KMT2ALMNA
SCHEMBL1369227 0.78 PTGDR2 (0.47) 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 1 patent. 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

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 189/4885MEN1 3995/4885NPC1 161/4885

“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.