SCHEMBL581494

SCHEMBL581494

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MRGPRX4 Q96LA9 2/20 0.51
▸ GPR52 Q9Y2T5 5/20 0.49
▸ NR3C2 P08235 1/20 0.49
▸ PHGDH O43175 1/20 0.48
▸ SCD O00767 3/20 0.47
▸ MAOB P27338 2/20 0.46
▸ USP2 O75604 2/20 0.45
▸ CYP3A4 P08684 2/20 0.45
▸ NR1I2 O75469 1/20 0.45
▸ ADRB1 P08588 1/20 0.45
▸ HTR1A P08908 1/20 0.45
▸ ADRA2A P08913 1/20 0.45
▸ ADORA3 P0DMS8 1/20 0.45
▸ ADRA2B P18089 1/20 0.45
▸ ADRA2C P18825 1/20 0.45
▸ CHRM3 P20309 1/20 0.45
▸ SLC6A2 P23975 1/20 0.45
▸ HTR2A P28223 1/20 0.45
▸ HTR2C P28335 1/20 0.45
▸ SLC6A4 P31645 1/20 0.45

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
SCHEMBL581939 0.94 MRGPRX4 (0.51) MRGPRX4GPR52NR3C2PHGDHSCD
SCHEMBL581445 0.86 MRGPRX4 (0.46) MRGPRX4NR3C2PHGDHMAOBKDM4C
SCHEMBL581317 0.85 GPR52 (0.46) MRGPRX4GPR52CYP3A4KDM4C
SCHEMBL1568281 0.84 GPR52 (0.57) MRGPRX4GPR52NR3C2MAOBNR4A2
SCHEMBL580683 0.84 MRGPRX4 (0.55) MRGPRX4NR3C2MAOBKDM4C
SCHEMBL580585 0.82 KDM5B (0.56) KDM4C
SCHEMBL3492157 0.81 KDM5A (0.55) MRGPRX4GPR52NR3C2PHGDHKDM4C
SCHEMBL18370106 0.80 KLKB1 (0.61) —
SCHEMBL581308 0.80 KDM4E (0.46) KDM4C
SCHEMBL580763 0.80 NOTUM (0.46) MRGPRX4NR3C2KDM4C

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 197/4885GPR52 153/4885NR3C2 14/4885

“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.

Send feedback