SCHEMBL21652233

SCHEMBL21652233

CC(C)(C)c1cccc(C(=O)Nc2c(Br)cc(OC(F)(F)F)cc2Br)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 2/20 0.51
HDAC6 Q9UBN7 2/20 0.51
TRPV1 Q8NER1 1/20 0.49
TAS1R3 Q7RTX0 1/20 0.48
TAS1R1 Q7RTX1 1/20 0.48
TAS1R2 Q8TE23 1/20 0.48
ACHE P22303 3/20 0.47
TP53 P04637 1/20 0.46
RAB9A P51151 2/20 0.46
NPC1 O15118 1/20 0.46
NR1H4 Q96RI1 1/20 0.46
NPSR1 Q6W5P4 2/20 0.45
TSHR P16473 1/20 0.45
HDAC3 O15379 1/20 0.44
P2RX1 P51575 1/20 0.43
LMNA P02545 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
GAA P10253 1/20 0.43
HTT P42858 1/20 0.43

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
SCHEMBL21652228 0.88 TRPV1 (0.64) HDAC8HDAC6TRPV1TP53RAB9A
SCHEMBL21620292 0.79 NPC1 (0.52) HDAC6TRPV1RAB9ANPC1NPSR1
SCHEMBL16049296 0.73 ALDH1A1 (0.45) RAB9ANPC1TSHRGAAHTT
SCHEMBL21652220 0.73 HDAC8 (0.52) HDAC8HDAC6TAS1R3TAS1R1TAS1R2
SCHEMBL28085183 0.72 LMNA (0.52) TP53LMNAMEN1KMT2AGAA
SCHEMBL12201883 0.71 HDAC8 (0.77) HDAC8HDAC6ACHENR1H4HDAC3
SCHEMBL1362336 0.70 PTGS1 (0.48) HDAC8HDAC6TAS1R3TAS1R1TAS1R2
SCHEMBL4463757 0.70 HDAC1 (0.58) HDAC8HDAC6TRPV1TP53RAB9A
SCHEMBL20073524 0.70 MAPT (0.81) HDAC8HDAC6RAB9ATSHRHDAC3
SCHEMBL15603515 0.70 MAPT (0.81) HDAC8HDAC6RAB9ATSHRHDAC3

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 HDAC8 2185/4885HDAC6 3533/4885TRPV1 4344/4885

“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.