SCHEMBL581445

SCHEMBL581445

COC(=O)c1ccnc(Cc2ccc(C(F)(F)F)cc2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.46
KDM4C Q9H3R0 3/20 0.45
KDM4E B2RXH2 2/20 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
LMNA P02545 1/20 0.43
PHGDH O43175 1/20 0.43
IDH1 O75874 1/20 0.43
DGAT2 Q96PD7 1/20 0.43
NR3C2 P08235 1/20 0.43
KDM5A P29375 3/20 0.42
KDM5B Q9UGL1 2/20 0.42
KDM1A O60341 1/20 0.42
HDAC1 Q13547 1/20 0.42
RORC P51449 1/20 0.42
ALOX15 P16050 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
SRD5A2 P31213 1/20 0.42

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
SCHEMBL581494 0.86 MRGPRX4 (0.51) MRGPRX4KDM4CPHGDHNR3C2MAOB
SCHEMBL581778 0.86 MRGPRX4 (0.56) MRGPRX4KDM4CKDM4EKDM6BKDM5C
SCHEMBL581317 0.85 GPR52 (0.46) MRGPRX4KDM4CKDM4EKDM6BKDM5C
SCHEMBL581173 0.85 KDM5B (0.56) MRGPRX4KDM4CKDM4EKDM6BKDM5C
SCHEMBL16891523 0.84 KDM4E (0.49) KDM4CKDM4EKDM6BKDM5CKDM2A
SCHEMBL18370106 0.83 KLKB1 (0.61) KLKB1MAP4K1
SCHEMBL580763 0.83 NOTUM (0.46) MRGPRX4KDM4CKDM4EKDM6BKDM5C
SCHEMBL1568308 0.83 MAOB (0.50) MRGPRX4KDM4CNR3C2KDM5AKDM5B
SCHEMBL16880817 0.83 KDM4E (0.48) KDM4CKDM4EKDM6BKDM5CKDM2A
SCHEMBL580585 0.82 KDM5B (0.56) KDM4CKDM4EKDM6BKDM5CKDM2A

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 197/4885KDM4C 1355/4885KDM4E 2668/4885

“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.