SCHEMBL10072326

SCHEMBL10072326

Cc1cc(C(F)(F)F)cc(C2(C(F)(F)F)CC(c3ccc(C(=O)NCC=O)c4ccccc34)=NO2)c1

nearest known ligand 0.32

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
TAS2R14 Q9NYV8 1/20 0.32
NR2E1 Q9Y466 4/20 0.32
TACR1 P25103 4/20 0.32
P2RX1 P51575 1/20 0.32
P2RX3 P56373 1/20 0.32
P2RX4 Q99571 1/20 0.32
P2RX7 Q99572 1/20 0.32
ADCY8 P40145 1/20 0.31
ADCY1 Q08828 1/20 0.31
RORA P35398 1/20 0.31
HPGD P15428 1/20 0.30

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
SCHEMBL869923 0.94 P2RX1 (0.36) NR2E1TACR1P2RX1P2RX3P2RX4
SCHEMBL870518 0.91 TACR1 (0.32) TACR1P2RX1P2RX3P2RX4P2RX7
SCHEMBL10072341 0.91 HPGD (0.31) HPGD
SCHEMBL10072325 0.89 GPR52 (0.37)
SCHEMBL10072327 0.89
SCHEMBL870231 0.87 HPGD (0.32) P2RX7HPGD
SCHEMBL10072324 0.86 TAS2R14 (0.39) HDAC3HDAC1HDAC2HDAC6TAS2R14
SCHEMBL871534 0.86 HPGD (0.31) P2RX7HPGD
SCHEMBL883221 0.86 HPGD (0.31) P2RX7HPGD
SCHEMBL10072331 0.85 CA1 (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 HDAC3 1241/4885HDAC1 925/4885HDAC2 1125/4885

“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.