SCHEMBL580763

SCHEMBL580763

COC(=O)c1ccnc(Cc2ccc(C(F)(F)F)c(F)c2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.46
KDM5B Q9UGL1 3/20 0.44
KDM5A P29375 2/20 0.44
PDE2A O00408 3/20 0.43
NTRK1 P04629 1/20 0.42
KDM4E B2RXH2 2/20 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
KLKB1 P03952 1/20 0.41
MAP4K1 Q92918 1/20 0.41
MRGPRX4 Q96LA9 1/20 0.40
NR3C2 P08235 1/20 0.40
P2RX7 Q99572 1/20 0.39
ALOX15 P16050 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MBOAT4 Q96T53 1/20 0.39
FFAR1 O14842 1/20 0.38

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
SCHEMBL582010 0.87 KDM5B (0.56) KDM5BKDM5AKDM4EKDM6BKDM5C
SCHEMBL581445 0.83 MRGPRX4 (0.46) NOTUMKDM5BKDM5AKDM4EKDM6B
Hydrochloric Acid SCHEMBL582456 0.82 KDM5B (0.46) KDM5BKDM5AKDM4EKDM6BKDM5C
SCHEMBL581173 0.81 KDM5B (0.56) KDM5BKDM5AKDM4EKDM6BKDM5C
SCHEMBL581494 0.80 MRGPRX4 (0.51) KDM4CMRGPRX4NR3C2
SCHEMBL581778 0.80 MRGPRX4 (0.56) KDM5BKDM5APDE2ANTRK1KDM4E
SCHEMBL581317 0.79 GPR52 (0.46) NOTUMKDM5BKDM5AKDM4EKDM6B
SCHEMBL580744 0.79 KDM4C (0.48) KDM5BKDM5AKDM4EKDM6BKDM5C
SCHEMBL581076 0.79 ABL1 (0.45) NOTUMKDM5BKDM4EKDM6BKDM5C
SCHEMBL580683 0.78 MRGPRX4 (0.55) KDM5BKDM5AKDM4EKDM6BKDM5C

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 NOTUM 2559/4885KDM5B 3953/4885KDM5A 3697/4885

“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.