SCHEMBL17728313

SCHEMBL17728313

CCCCCNNC(=O)CC#N

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 3/20 0.53
ALDH1A1 P00352 1/20 0.53
GAA P10253 1/20 0.53
HDAC3 O15379 5/20 0.41
HDAC1 Q13547 5/20 0.41
HDAC2 Q92769 4/20 0.41
CASP2 P42575 1/20 0.40
EPHX1 P07099 5/20 0.39
HDAC11 Q96DB2 2/20 0.39
HDAC8 Q9BY41 2/20 0.39
HDAC6 Q9UBN7 1/20 0.39
NAAA Q02083 1/20 0.38
ZDHHC20 Q5W0Z9 1/20 0.38
ZDHHC2 Q9UIJ5 1/20 0.38

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
SCHEMBL21623912 0.98 MCL1 (0.52) MCL1ALDH1A1GAAHDAC3HDAC1
SCHEMBL21623910 0.94 MCL1 (0.55) MCL1ALDH1A1GAAHDAC3HDAC1
SCHEMBL6317039 0.81 MCL1 (0.74) MCL1ALDH1A1GAACASP2EPHX1
SCHEMBL1962363 0.79 MCL1 (0.71) MCL1CASP2EPHX1NAAAZDHHC20
SCHEMBL3394896 0.79 MCL1 (0.71) MCL1CASP2EPHX1NAAAZDHHC20
SCHEMBL6320829 0.79 MCL1 (0.71) MCL1CASP2EPHX1NAAAZDHHC20
SCHEMBL1962964 0.79 MCL1 (0.71) MCL1CASP2EPHX1NAAAZDHHC20
SCHEMBL1961150 0.79 MCL1 (0.71) MCL1CASP2EPHX1NAAAZDHHC20
SCHEMBL1958608 0.79 MCL1 (0.71) MCL1CASP2EPHX1NAAAZDHHC20
SCHEMBL1962966 0.79 MCL1 (0.71) MCL1CASP2EPHX1NAAAZDHHC20

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-9981928-B2 Aryl sulfide derivatives and aryl sulfoxide derivatives as acaricides and insecticides BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-05-29 US disclosed
US-20160130240-A1 ARYL SULFIDE DERIVATIVES AND ARYL SULFOXIDE DERIVATIVES AS ACARICIDES AND INSECTICIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2016-05-12 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 (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-20160130240-A1 ARYL SULFIDE DERIVATIVES AND ARYL SULFOXIDE DERIVATIVES AS ACARICIDES AND INSECTICIDES ARSA, SQOR, AHR MCL1 2367/4885ALDH1A1 101/4885GAA 822/4885

“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.