SCHEMBL582010

SCHEMBL582010

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM5B Q9UGL1 7/20 0.56
KDM5A P29375 6/20 0.56
KDM4C Q9H3R0 3/20 0.46
KDM4E B2RXH2 2/20 0.46
KDM6B O15054 1/20 0.46
KDM5C P41229 1/20 0.46
KDM2A Q9Y2K7 1/20 0.46
KDM3A Q9Y4C1 1/20 0.46
ALOX15 P16050 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
METAP2 P50579 1/20 0.42
JMJD6 Q6NYC1 1/20 0.41
NPC1 O15118 1/20 0.41
HPGD P15428 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
VNN1 O95497 1/20 0.40
KLKB1 P03952 2/20 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
Hydrochloric Acid SCHEMBL582456 0.87 KDM5B (0.46) KDM5BKDM5AKDM4CKDM4EKDM6B
SCHEMBL580763 0.87 NOTUM (0.46) KDM5BKDM5AKDM4CKDM4EKDM6B
SCHEMBL581173 0.86 KDM5B (0.56) KDM5BKDM5AKDM4CKDM4EKDM6B
SCHEMBL580744 0.84 KDM4C (0.48) KDM5BKDM5AKDM4CKDM4EKDM6B
SCHEMBL580683 0.83 MRGPRX4 (0.55) KDM5BKDM5AKDM4CKDM4EKDM6B
SCHEMBL1568037 0.82 FYN (0.52) KDM5BKDM5AKDM4CKDM5CMAOA
SCHEMBL16891523 0.82 KDM4E (0.49) KDM5BKDM5AKDM4CKDM4EKDM6B
SCHEMBL16880817 0.81 KDM4E (0.48) KDM5BKDM5AKDM4CKDM4EKDM6B
SCHEMBL580585 0.81 KDM5B (0.56) KDM5BKDM5AKDM4CKDM4EKDM6B
SCHEMBL580698 0.81 KDM5B (0.45) KDM5BKDM5AKDM4CKDM4EKDM6B

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 KDM5B 3953/4885KDM5A 3697/4885KDM4C 1355/4885

“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.