SCHEMBL869923

SCHEMBL869923

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

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
P2RX1 P51575 4/20 0.36
P2RX4 Q99571 2/20 0.36
P2RX7 Q99572 2/20 0.36
P2RX3 P56373 1/20 0.36
TACR1 P25103 6/20 0.35
LMNA P02545 2/20 0.32
TMPRSS4 Q9NRS4 1/20 0.32
SERPINE1 P05121 1/20 0.31
CCR1 P32246 2/20 0.31
HTT P42858 1/20 0.31
POLB P06746 1/20 0.31
GAA P10253 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
NR2E1 Q9Y466 2/20 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
SCHEMBL870518 0.95 TACR1 (0.32) P2RX1P2RX4P2RX7P2RX3TACR1
SCHEMBL10072326 0.94 HDAC3 (0.32) P2RX1P2RX4P2RX7P2RX3TACR1
SCHEMBL870231 0.90 HPGD (0.32) P2RX7POLB
SCHEMBL871534 0.90 HPGD (0.31) P2RX7POLB
SCHEMBL883221 0.90 HPGD (0.31) P2RX7POLB
SCHEMBL3107706 0.89 TACR1 (0.38) P2RX1P2RX4P2RX7P2RX3TACR1
SCHEMBL870579 0.89 MEN1 (0.36) P2RX1P2RX4P2RX7P2RX3TACR1
SCHEMBL869684 0.88 PPARG (0.32) P2RX7
SCHEMBL10083433 0.88 TACR1 (0.33) P2RX1P2RX4P2RX7P2RX3TACR1
SCHEMBL870589 0.88

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
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

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 P2RX1 287/4885P2RX4 464/4885P2RX7 177/4885

“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.