SCHEMBL21652223

SCHEMBL21652223

CC(C)(C)c1ccc(C(=O)Nc2cc(F)c(F)c(F)c2)cc1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 6/20 0.62
HDAC3 O15379 3/20 0.59
HDAC6 Q9UBN7 3/20 0.59
HDAC8 Q9BY41 2/20 0.59
HDAC11 Q96DB2 1/20 0.59
KCNK9 Q9NPC2 1/20 0.59
NPC1 O15118 2/20 0.58
RAB9A P51151 2/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
RAPGEF3 O95398 2/20 0.55
RAPGEF4 Q8WZA2 2/20 0.55
KCNK3 O14649 1/20 0.54
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
NR1H4 Q96RI1 1/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52

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
SCHEMBL21620324 0.83 NPC1 (0.65) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL17803532 0.83 MEN1 (0.66) KCNK9NPC1RAB9ASMN1; SMN2KCNK3
SCHEMBL23352871 0.81 TRPV1 (0.68) TRPV1HDAC3HDAC6HDAC8HDAC11
SCHEMBL7303163 0.81 HDAC3 (0.86) TRPV1HDAC3HDAC6HDAC8HDAC11
SCHEMBL1687868 0.80 TRPV1 (0.76) TRPV1HDAC3HDAC6HDAC8HDAC11
SCHEMBL16678174 0.80 HDAC3 (0.73) TRPV1HDAC3HDAC6HDAC8HDAC11
SCHEMBL21652312 0.80 TRPV1 (0.76) TRPV1HDAC3HDAC6HDAC8HDAC11
SCHEMBL7300689 0.80 KCNK3 (0.64) TRPV1HDAC3HDAC6HDAC8HDAC11
SCHEMBL7301130 0.80 TRPV1 (0.76) TRPV1HDAC3HDAC6HDAC8HDAC11
SCHEMBL16677863 0.80 HDAC6 (0.73) TRPV1HDAC3HDAC6HDAC8HDAC11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10544092-B2 Malononitrile oxime ether compound and use thereof SHENYANG SINOCHEM AGROCHEMICALS R&D CO., LTD. (CN) 2020-01-28 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-10544092-B2 Malononitrile oxime ether compound and use thereof ME1, MAL2, ME3 TRPV1 4344/4885HDAC3 3413/4885HDAC6 3533/4885

“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.