SCHEMBL21652280

SCHEMBL21652280

CC(C)(C)c1ccc(C(=O)NCC#N)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 11/20 0.61
RAB9A P51151 4/20 0.57
NPC1 O15118 3/20 0.57
LMNA P02545 2/20 0.57
MAPK1 P28482 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
L3MBTL1 Q9Y468 2/20 0.57
TP53 P04637 1/20 0.57
HPGD P15428 1/20 0.57
NFKB1 P19838 1/20 0.57
NFKB2 Q00653 1/20 0.57
RELA Q04206 1/20 0.57
HDAC1 Q13547 1/20 0.56
NR1H4 Q96RI1 8/20 0.55
HDAC3 O15379 1/20 0.55
HDAC8 Q9BY41 1/20 0.55
HDAC6 Q9UBN7 1/20 0.55
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
CYP1A2 P05177 1/20 0.54

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
SCHEMBL13762066 0.85 RAB9A (0.60) EPHX2RAB9ANPC1LMNAMAPK1
SCHEMBL21652313 0.82 CTSL (0.66) EPHX2NR1H4HDAC8HDAC6ALDH1A1
SCHEMBL19252528 0.82 CA1 (0.61) EPHX2RAB9ANPC1LMNAMAPK1
SCHEMBL31474545 0.81 EPHX2 (0.50) EPHX2NR1H4MEN1KMT2AALDH1A1
SCHEMBL10451394 0.81 LMNA (0.58) RAB9ANPC1LMNASMN1; SMN2L3MBTL1
SCHEMBL10764773 0.80 CTSL (0.59) RAB9ANPC1HPGDHDAC1HDAC3
SCHEMBL17011384 0.80 KDM4E (0.58) EPHX2LMNAMAPK1HDAC1HDAC3
SCHEMBL9873510 0.80 CYP1A2 (0.56) RAB9ANPC1LMNASMN1; SMN2L3MBTL1
SCHEMBL26261156 0.80 MEN1 (0.62) EPHX2RAB9ANPC1MEN1KMT2A
SCHEMBL9827345 0.80 CTSL (0.61) EPHX2RAB9ANPC1LMNAHPGD

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 EPHX2 1039/4885RAB9A 4007/4885NPC1 4630/4885

“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.