SCHEMBL581778

SCHEMBL581778

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.56
VNN1 O95497 1/20 0.46
SCN10A Q9Y5Y9 1/20 0.44
KDM4E B2RXH2 2/20 0.44
KDM6B O15054 1/20 0.44
KDM5C P41229 1/20 0.44
KDM4C Q9H3R0 1/20 0.44
KDM2A Q9Y2K7 1/20 0.44
KDM3A Q9Y4C1 1/20 0.44
IDH1 O75874 2/20 0.44
PDE2A O00408 1/20 0.43
EPHX2 P34913 2/20 0.43
NR1H4 Q96RI1 1/20 0.43
NTRK1 P04629 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KDM5A P29375 1/20 0.42
KDM5B Q9UGL1 1/20 0.42
RAF1 P04049 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
SCHEMBL581445 0.86 MRGPRX4 (0.46) MRGPRX4KDM4EKDM6BKDM5CKDM4C
SCHEMBL581173 0.84 KDM5B (0.56) MRGPRX4KDM4EKDM6BKDM5CKDM4C
SCHEMBL16891523 0.83 KDM4E (0.49) KDM4EKDM6BKDM5CKDM4CKDM2A
SCHEMBL16880817 0.82 KDM4E (0.48) KDM4EKDM6BKDM5CKDM4CKDM2A
SCHEMBL580585 0.81 KDM5B (0.56) KDM4EKDM6BKDM5CKDM4CKDM2A
SCHEMBL580763 0.80 NOTUM (0.46) MRGPRX4KDM4EKDM6BKDM5CKDM4C
SCHEMBL508864 0.80 MRGPRX4 (0.57) MRGPRX4VNN1EPHX2NR1H4MEN1
SCHEMBL582010 0.80 KDM5B (0.56) VNN1KDM4EKDM6BKDM5CKDM4C
SCHEMBL580744 0.79 KDM4C (0.48) MRGPRX4KDM4EKDM6BKDM5CKDM4C
SCHEMBL581463 0.79 PTGS2 (0.46) KDM4EKDM6BKDM5CKDM4CKDM2A

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 197/4885VNN1 3367/4885SCN10A 1407/4885

“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.