SCHEMBL14859000

SCHEMBL14859000

O=C(O)CCc1cnc(Cc2ccc(C(=O)NCCc3ccc(Cl)cc3)cc2)c2ccccc12

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 4/20 0.63
NPC1 O15118 4/20 0.49
RAB9A P51151 4/20 0.49
MAPT P10636 4/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
CYP1A2 P05177 1/20 0.49
GAA P10253 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C19 P33261 1/20 0.49
GFER P55789 1/20 0.49
TBXA2R P21731 4/20 0.49
TBXAS1 P24557 1/20 0.49
LMNA P02545 3/20 0.47
SNCA P37840 1/20 0.46
MCHR1 Q99705 1/20 0.46
TP53 P04637 1/20 0.46
POLB P06746 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
MEN1 O00255 1/20 0.45

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
SCHEMBL14871008 0.94 PTGDR2 (0.61) PTGDR2NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL1370676 0.91 PTGDR2 (0.75) PTGDR2NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL12074158 0.86 PTGDR2 (0.84) PTGDR2NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL1368383 0.86 PTGDR2 (0.63) PTGDR2NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL1368120 0.86 PTGDR2 (0.63) PTGDR2NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL1369200 0.85 PTGDR2 (0.57) PTGDR2NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL14860438 0.85 PTGDR2 (0.57) PTGDR2NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL14859558 0.85 PTGDR2 (0.57) PTGDR2NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL1366799 0.85 PTGDR2 (0.66) PTGDR2NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL14860450 0.83 PTGDR2 (0.76) PTGDR2NPC1RAB9AMAPTSMN1; SMN2

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 219/4885NPC1 280/4885RAB9A 1009/4885

“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.