SCHEMBL13060581

SCHEMBL13060581

CC(S)c1ncc(C=C(C#N)C#N)n1C

nearest known ligand 0.32

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.32
MEN1 O00255 3/20 0.32
ALDH1A1 P00352 2/20 0.32
MAPT P10636 2/20 0.32
POLB P06746 2/20 0.32
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
MAPK1 P28482 1/20 0.31
APEX1 P27695 1/20 0.31
HTT P42858 1/20 0.31
RECQL P46063 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
MLYCD O95822 2/20 0.30

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
SCHEMBL13060359 0.74 TRIM24 (0.31) ALDH1A1
SCHEMBL10825042 0.72 POLB (0.35) KMT2AMEN1ALDH1A1MAPTPOLB
SCHEMBL13060582 0.65
SCHEMBL13060549 0.64 ALDH1A1 (0.40) KMT2AMEN1ALDH1A1MAPTPOLB
SCHEMBL4039693 0.59 SMN1; SMN2 (0.41) KMT2AALDH1A1LMNAHTTMLYCD
SCHEMBL15989496 0.58 ALDH1A1 (0.40) KMT2AMEN1ALDH1A1MAPTPOLB
SCHEMBL15974037 0.58 ALDH1A1 (0.39) KMT2AMEN1ALDH1A1MAPTPOLB
SCHEMBL27616281 0.58 MEN1 (0.63) KMT2AMEN1ALDH1A1MAPTPOLB
SCHEMBL13145009 0.56 LMNA (0.41) LMNAHTT
SCHEMBL22332050 0.55 MEN1 (0.40) KMT2AMEN1ALDH1A1MAPTPOLB

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7846956-B2 Malononitrile compound as pesticides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-12-07 US disclosed
US-20090149425-A1 Malononitrile compound as pesticides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-06-11 US disclosed
EP-1704143-B1 MALONONITRILE COMPOUND AS PESTICIDES SUMITOMO CHEMICAL CO (JP) 2008-09-03 EP 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-20090149425-A1 Malononitrile compound as pesticides NR0B1, RTN4, OR10J3 KMT2A 3120/4885MEN1 929/4885ALDH1A1 2751/4885

“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.