SCHEMBL580683

SCHEMBL580683

COC(=O)c1ccnc(Cc2cccc(F)c2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 2/20 0.55
KDM5B Q9UGL1 5/20 0.48
KDM5A P29375 4/20 0.48
KDM4C Q9H3R0 2/20 0.48
NR3C2 P08235 1/20 0.46
LOXL2 Q9Y4K0 1/20 0.46
KDM4E B2RXH2 3/20 0.45
CYP4F2 P78329 1/20 0.45
CYP4A11 Q02928 1/20 0.45
KDM6B O15054 1/20 0.45
KDM5C P41229 1/20 0.45
KDM2A Q9Y2K7 1/20 0.45
KDM3A Q9Y4C1 1/20 0.45
HPGD P15428 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPK1 P28482 1/20 0.44
HSD17B10 Q99714 1/20 0.44
MEN1 O00255 2/20 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
SCHEMBL580744 0.88 KDM4C (0.48) MRGPRX4KDM5BKDM5AKDM4CLOXL2
SCHEMBL581173 0.85 KDM5B (0.56) MRGPRX4KDM5BKDM5AKDM4CKDM4E
SCHEMBL580585 0.85 KDM5B (0.56) KDM5BKDM5AKDM4CLOXL2KDM4E
SCHEMBL581494 0.84 MRGPRX4 (0.51) MRGPRX4KDM4CNR3C2MAOB
SCHEMBL582010 0.83 KDM5B (0.56) KDM5BKDM5AKDM4CKDM4EKDM6B
SCHEMBL1569175 0.83 PARP1 (0.53) KDM5BKDM5AKDM4CNR3C2MAOB
SCHEMBL9938380 0.82 MRGPRX4 (0.68) MRGPRX4LOXL2KDM4ECYP4F2CYP4A11
SCHEMBL580206 0.82 NPC1 (0.47) MRGPRX4KDM5BKDM5AKDM4CLOXL2
SCHEMBL581317 0.81 GPR52 (0.46) MRGPRX4KDM5BKDM5AKDM4CKDM4E
Hydrochloric Acid SCHEMBL582456 0.81 KDM5B (0.46) MRGPRX4KDM5BKDM5AKDM4CLOXL2

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 MRGPRX4 197/4885KDM5B 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.