SCHEMBL869975

SCHEMBL869975

O=C(NCCO)c1ccc(C2=NOC(c3ccc(F)c(Cl)c3)(C(F)(F)F)C2)c2ccccc12

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 1/20 0.35
FEN1 P39748 1/20 0.35
GPR52 Q9Y2T5 1/20 0.35
KMT2A Q03164 3/20 0.34
MEN1 O00255 1/20 0.34
CACNA1B Q00975 1/20 0.34
APBA1 Q02410 1/20 0.34
ALPL P05186 2/20 0.33
METAP2 P50579 1/20 0.33
CHRM1 P11229 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ALPG P10696 1/20 0.32
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32
RAB9A P51151 1/20 0.32
ACSS2 Q9NR19 1/20 0.32
CXCR5 P32302 1/20 0.32
ORAI1 Q96D31 2/20 0.31
PRF1 P14222 1/20 0.31

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
SCHEMBL870701 0.92 KMT2A (0.35) ALOX5APFEN1KMT2AMEN1CACNA1B
SCHEMBL870225 0.91 KMT2A (0.36) ALOX5APFEN1KMT2AMEN1CACNA1B
SCHEMBL878385 0.90 GPR52 (0.37) ALOX5APFEN1GPR52KMT2AMEN1
SCHEMBL10072350 0.90 ALOX5AP (0.35) ALOX5APFEN1GPR52KMT2AMEN1
SCHEMBL871002 0.90 KMT2A (0.36) ALOX5APFEN1KMT2AMEN1CACNA1B
SCHEMBL871807 0.89 CHRM1 (0.32) CHRM1CXCR5ORAI1
SCHEMBL869750 0.88 GPR52 (0.35) ALOX5APFEN1GPR52KMT2AMEN1
SCHEMBL871102 0.87 NTRK1 (0.33) ALOX5APFEN1GPR52KMT2AMEN1
SCHEMBL869742 0.87 PDK2 (0.36) KMT2AMEN1ALDH1A1CXCR5ORAI1
SCHEMBL870579 0.86 MEN1 (0.36) ALOX5APFEN1GPR52KMT2AMEN1

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 7 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-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
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 ALOX5AP 2971/4885FEN1 3142/4885GPR52 1054/4885

“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.