SCHEMBL581317

SCHEMBL581317

COC(=O)c1ccnc(Cc2cc(F)cc(C(F)(F)F)c2)c1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPR52 Q9Y2T5 13/20 0.46
KDM5A P29375 2/20 0.42
KDM5B Q9UGL1 2/20 0.42
KDM4E B2RXH2 1/20 0.41
KDM6B O15054 1/20 0.41
KDM5C P41229 1/20 0.41
KDM4C Q9H3R0 1/20 0.41
KDM2A Q9Y2K7 1/20 0.41
KDM3A Q9Y4C1 1/20 0.41
NOTUM Q6P988 1/20 0.41
MRGPRX4 Q96LA9 1/20 0.40
CYP3A4 P08684 1/20 0.39
HTT P42858 1/20 0.39
VNN1 O95497 1/20 0.39

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
SCHEMBL580744 0.89 KDM4C (0.48) KDM5AKDM5BKDM4EKDM6BKDM5C
SCHEMBL581445 0.85 MRGPRX4 (0.46) KDM5AKDM5BKDM4EKDM6BKDM5C
SCHEMBL581494 0.85 MRGPRX4 (0.51) GPR52KDM4CMRGPRX4CYP3A4
SCHEMBL581308 0.82 KDM4E (0.46) KDM5AKDM5BKDM4EKDM6BKDM5C
SCHEMBL581173 0.81 KDM5B (0.56) KDM5AKDM5BKDM4EKDM6BKDM5C
SCHEMBL580683 0.81 MRGPRX4 (0.55) KDM5AKDM5BKDM4EKDM6BKDM5C
SCHEMBL23824210 0.80 GPR52 (0.52) GPR52KDM4ECYP3A4HTT
SCHEMBL581939 0.79 MRGPRX4 (0.51) GPR52MRGPRX4CYP3A4
Hydrochloric Acid SCHEMBL582456 0.79 KDM5B (0.46) GPR52KDM5AKDM5BKDM4EKDM6B
SCHEMBL580763 0.79 NOTUM (0.46) KDM5AKDM5BKDM4EKDM6BKDM5C

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8415378-B2 Isoxazol-3(2H)-one analogs as therapeutic agents ASTRAZENECA AB (SE) 2013-04-09 US disclosed
EP-2417131-A1 ISOXAZOL-3(2H)-ONE ANALOGS AS THERAPEUTIC AGENTS AstraZeneca AB (SE) 2012-02-15 EP disclosed
WO-2010117323-A1 METHOD AND APPARATUS FOR PRODUCING HEAT ENERGY AND CARBON DIOXIDE ASTRAZENECA AB (SE) 2010-10-14 WO disclosed
US-20100261755-A1 ISOXAZOL-3(2H)-ONE ANALOGS AS THERAPEUTIC AGENTS ASTRAZENECA AB (SE) 2010-10-14 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-20100261755-A1 ISOXAZOL-3(2H)-ONE ANALOGS AS THERAPEUTIC AGENTS NR4A3, CBR3, OXER1 GPR52 153/4885KDM5A 3697/4885KDM5B 3953/4885

“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.