SCHEMBL20366361

SCHEMBL20366361

CCCC(C)(C)c1cccc(NC(C)=O)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.54
POLB P06746 1/20 0.54
NR4A1 P22736 1/20 0.54
MAPT P10636 2/20 0.52
HSD17B10 Q99714 3/20 0.50
ALDH1A1 P00352 2/20 0.50
CYP1A2 P05177 1/20 0.50
TSHR P16473 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
NQO2 P16083 1/20 0.46
MPO P05164 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
NAPRT Q6XQN6 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
HDAC3 O15379 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
NPC1 O15118 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
SCHEMBL12655113 0.88 POLB (0.57) RAB9APOLBNR4A1MAPTHSD17B10
SCHEMBL20782749 0.87 KIF11 (0.49) RAB9APOLBMAPTHSD17B10ALDH1A1
SCHEMBL1689404 0.80 HDAC3 (0.62) RAB9APOLBNR4A1HSD17B10ALDH1A1
SCHEMBL2633385 0.79 ALDH1A1 (0.58) RAB9APOLBNR4A1HSD17B10ALDH1A1
SCHEMBL23251079 0.78 ALDH1A1 (0.48) RAB9APOLBNR4A1MAPTHSD17B10
SCHEMBL20372223 0.77 ALDH1A1 (0.40) MAPTALDH1A1CYP1A2MEN1KMT2A
SCHEMBL18672955 0.76 KCNJ6 (0.49) RAB9APOLBNR4A1MAPTL3MBTL1
SCHEMBL21652254 0.76 KIF11 (0.47) POLBMAPTALDH1A1CYP1A2SMN1; SMN2
SCHEMBL21998702 0.76 NR3C2 (0.51) MAPTCYP1A2SMN1; SMN2LMNA
SCHEMBL505220 0.76 RXFP1 (0.69) RAB9AMAPTALDH1A1L3MBTL1MEN1

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-10544092-B2 Malononitrile oxime ether compound and use thereof SHENYANG SINOCHEM AGROCHEMICALS R&D CO., LTD. (CN) 2020-01-28 US disclosed
US-20180194757-A1 NEPRILYSIN INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2018-07-12 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 (2 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 RAB9A 4007/4885POLB 1840/4885NR4A1 809/4885
US-20180194757-A1 NEPRILYSIN INHIBITORS MME, REN, ACE RAB9A 2069/4885POLB 3034/4885NR4A1 2249/4885

“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.