SCHEMBL14859558

SCHEMBL14859558

CC(C)(Cc1cnc(Cc2ccc(C(=O)NCCc3ccc(Cl)cc3)cc2)c2ccccc12)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 4/20 0.57
SMN1; SMN2 Q16637 3/20 0.50
PPARA Q07869 3/20 0.50
ALDH1A1 P00352 1/20 0.50
FABP2 P12104 1/20 0.50
PPARG P37231 1/20 0.50
PPARD Q03181 1/20 0.50
NPC1 O15118 4/20 0.46
RAB9A P51151 4/20 0.46
MAPT P10636 2/20 0.46
CYP1A2 P05177 1/20 0.46
GAA P10253 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 1/20 0.46
GFER P55789 1/20 0.46
ESRRG P62508 1/20 0.45
LMNA P02545 1/20 0.44
PSEN1 P49768 1/20 0.44
PSEN2 P49810 1/20 0.44
APH1B Q8WW43 1/20 0.44

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
SCHEMBL1370676 0.86 PTGDR2 (0.75) PTGDR2SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL14859000 0.85 PTGDR2 (0.63) PTGDR2SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL14860438 0.84 PTGDR2 (0.57) PTGDR2SMN1; SMN2PPARAALDH1A1FABP2
SCHEMBL14871008 0.83 PTGDR2 (0.61) PTGDR2SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL1368383 0.83 PTGDR2 (0.63) PTGDR2SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL1368120 0.83 PTGDR2 (0.63) PTGDR2SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL1369200 0.82 PTGDR2 (0.57) PTGDR2SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL1369034 0.80 PTGDR2 (0.52) PTGDR2SMN1; SMN2PPARAALDH1A1FABP2
SCHEMBL1366799 0.80 PTGDR2 (0.66) PTGDR2SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL1369213 0.79 PTGDR2 (0.53) PTGDR2SMN1; SMN2NPC1RAB9AMAPT

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
EP-2586772-A1 ISOQUINOLINE DERIVATIVE Taisho Pharmaceutical Co., Ltd. (JP) 2013-05-01 EP disclosed
US-20130096310-A1 ISOQUINOLINE DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD. (JP) 2013-04-18 US disclosed
US-20130096310-A1 ISOQUINOLINE DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD. (JP) 2013-04-18 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-20130096310-A1 ISOQUINOLINE DERIVATIVE NR1H2, NR3C2, HRH1 PTGDR2 219/4885SMN1; SMN2 3369/4885PPARA 2663/4885

“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.