SCHEMBL871765

SCHEMBL871765

O=C(NCCO)c1ccc(C2=NOC(c3cc(F)cc(C(F)(F)F)c3)(C(F)(F)F)C2)c2ccccc12

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GPR52 Q9Y2T5 15/20 0.37
METAP2 P50579 2/20 0.36
MEN1 O00255 1/20 0.34
CACNA1B Q00975 1/20 0.34
APBA1 Q02410 1/20 0.34
KMT2A Q03164 1/20 0.34
ALOX5AP P20292 1/20 0.33
FEN1 P39748 1/20 0.33

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
SCHEMBL870579 0.95 MEN1 (0.36) GPR52METAP2MEN1CACNA1BAPBA1
SCHEMBL10072325 0.91 GPR52 (0.37) GPR52METAP2MEN1CACNA1BAPBA1
SCHEMBL869750 0.90 GPR52 (0.35) GPR52MEN1CACNA1BAPBA1KMT2A
SCHEMBL10072340 0.90 MEN1 (0.36) GPR52METAP2MEN1CACNA1BAPBA1
SCHEMBL870518 0.89 TACR1 (0.32)
SCHEMBL870701 0.88 KMT2A (0.35) METAP2MEN1CACNA1BAPBA1KMT2A
SCHEMBL870225 0.87 KMT2A (0.36) MEN1CACNA1BAPBA1KMT2AALOX5AP
SCHEMBL870558 0.87 LTB4R (0.32) ALOX5APFEN1
SCHEMBL871002 0.86 KMT2A (0.36) MEN1CACNA1BAPBA1KMT2AALOX5AP
SCHEMBL871009 0.86 ALOX5AP (0.35) GPR52METAP2MEN1CACNA1BAPBA1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2619189-B1 ISOXAZOLINE OXIMES AS ANTIPARASITIC AGENTS ZOETIS SERVICES LLC (US) 2020-04-15 EP disclosed
US-8404649-B2 Isoxazoline oximes as antiparasitic agents AH USA 42 LLC (US) 2013-03-26 US disclosed
US-20120077765-A1 ISOXAZOLINE OXIMES AS ANTIPARASITIC AGENTS PFIZER INC. (US) 2012-03-29 US disclosed
US-20120077765-A1 ISOXAZOLINE OXIMES AS ANTIPARASITIC AGENTS PFIZER INC. (US) 2012-03-29 US disclosed
WO-2012038851-A1 ISOXAZOLINE OXIMES AS ANTIPARASITIC AGENTS PFIZER INC. (US) 2012-03-29 WO 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-20120077765-A1 ISOXAZOLINE OXIMES AS ANTIPARASITIC AGENTS CYP1A2, CYP3A7, CYP2E1 GPR52 1054/4885METAP2 4048/4885MEN1 3815/4885

“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.