SCHEMBL580981

SCHEMBL580981

COC(=O)c1ccnc(-c2ccc(F)cc2Cl)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.56
KDM4C Q9H3R0 3/20 0.56
KDM6B O15054 2/20 0.56
KDM5C P41229 2/20 0.56
KDM2A Q9Y2K7 2/20 0.56
KDM3A Q9Y4C1 2/20 0.56
JMJD6 Q6NYC1 1/20 0.50
KDM5B Q9UGL1 3/20 0.44
KDM5A P29375 2/20 0.43
ALOX15 P16050 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ALPL P05186 2/20 0.42
MRGPRX4 Q96LA9 1/20 0.41
ACLY P53396 2/20 0.41
MDM4 O15151 1/20 0.41
MDM2 Q00987 1/20 0.41
NPC1 O15118 2/20 0.41
HPGD P15428 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41

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 SCHEMBL580879 0.99 KDM4E (0.55) KDM4EKDM4CKDM6BKDM5CKDM2A
SCHEMBL580482 0.86 KDM4C (0.58) KDM4EKDM4CKDM6BKDM5CKDM2A
SCHEMBL29141527 0.86 KDM4E (0.58) KDM4EKDM4CKDM6BKDM5CKDM2A
Hydrochloric Acid SCHEMBL3075295 0.85 KDM4C (0.57) KDM4EKDM4CKDM6BKDM5CKDM2A
Hydrochloric Acid SCHEMBL580705 0.85 KDM4E (0.57) KDM4EKDM4CKDM6BKDM5CKDM2A
SCHEMBL2410176 0.82 KDM4C (0.60) KDM4EKDM4CKDM6BKDM5CKDM2A
Hydrochloric Acid SCHEMBL581298 0.81 KDM4C (0.55) KDM4EKDM4CKDM6BKDM5CKDM2A
SCHEMBL21805067 0.81 KDM4E (0.55) KDM4EKDM4CKDM6BKDM5CKDM2A
SCHEMBL9907350 0.79 HTT (0.45) KDM4EKDM4CKDM6BKDM5CKDM2A
SCHEMBL31211658 0.79 KDM4E (0.63) KDM4EKDM4CKDM6BKDM5CKDM2A

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 KDM4E 2668/4885KDM4C 1355/4885KDM6B 3249/4885

“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.