SCHEMBL21652228

SCHEMBL21652228

CC(C)(C)c1ccc(C(=O)Nc2c(Br)cc(OC(F)(F)F)cc2Br)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 6/20 0.64
EPHX2 P34913 1/20 0.53
NR1H4 Q96RI1 1/20 0.53
RAB9A P51151 2/20 0.49
NPC1 O15118 1/20 0.49
TP53 P04637 3/20 0.47
MAPT P10636 4/20 0.47
HDAC3 O15379 2/20 0.47
HDAC6 Q9UBN7 2/20 0.47
HDAC11 Q96DB2 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC1 Q13547 1/20 0.46
SMN1; SMN2 Q16637 5/20 0.45
KCNK9 Q9NPC2 1/20 0.44
LMNA P02545 2/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
NPY1R P25929 1/20 0.44
NPY2R P49146 1/20 0.44

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
SCHEMBL21620292 0.88 NPC1 (0.52) TRPV1RAB9ANPC1MAPTHDAC6
SCHEMBL21652233 0.88 HDAC8 (0.51) TRPV1NR1H4RAB9ANPC1TP53
SCHEMBL7302645 0.82 HDAC1 (0.56) TRPV1RAB9ANPC1TP53MAPT
SCHEMBL4463757 0.77 HDAC1 (0.58) TRPV1NR1H4RAB9ANPC1TP53
SCHEMBL16049296 0.77 ALDH1A1 (0.45) EPHX2RAB9ANPC1MAPTALDH1A1
SCHEMBL28085183 0.73 LMNA (0.52) TP53MAPTSMN1; SMN2KCNK9LMNA
SCHEMBL28346435 0.72 ALDH1A1 (0.44) TRPV1EPHX2RAB9ANPC1MAPT
SCHEMBL16047775 0.71 MAPT (0.41) EPHX2RAB9ANPC1MAPTLMNA
SCHEMBL21652318 0.70 TRPV1 (0.54) TRPV1NR1H4RAB9ANPC1TP53
SCHEMBL28329534 0.69 PLK1 (0.53) RAB9ANPC1MAPTHDAC1SMN1; SMN2

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 4344/4885EPHX2 1039/4885NR1H4 2555/4885

“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.