SCHEMBL13060271

SCHEMBL13060271

Cc1nc(CC(C#N)(C#N)CCC(F)(F)F)cs1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
HTT P42858 1/20 0.39
GAA P10253 2/20 0.34
MEN1 O00255 3/20 0.33
SLC6A3 Q01959 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPT P10636 2/20 0.33
PKM P14618 2/20 0.33
MDM2 Q00987 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
DPP4 P27487 1/20 0.32
DPP8 Q6V1X1 1/20 0.32
DPP9 Q86TI2 1/20 0.32
HPGD P15428 1/20 0.31
GRM5 P41594 1/20 0.31
TLR7 Q9NYK1 1/20 0.31

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
SCHEMBL13060272 0.83 HRH1 (0.37)
SCHEMBL13060330 0.82 SLC6A3 (0.33) SLC6A3
SCHEMBL13004294 0.80 KMT2A (0.36) KMT2AL3MBTL1HTTGAAMEN1
SCHEMBL14067630 0.80
SCHEMBL13544288 0.77 GAA (0.43) KMT2AL3MBTL1HTTGAAMEN1
SCHEMBL13060573 0.75
SCHEMBL5823825 0.75 POLB (0.43) HTTMAPTSMN1; SMN2DPP4DPP8
SCHEMBL13060329 0.73 SLC6A3 (0.32) SLC6A3
SCHEMBL13060332 0.72 SLC6A3 (0.34) SLC6A3
SCHEMBL13060353 0.71 MAPT (0.35) MAPTTLR7

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-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

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 3120/4885L3MBTL1 285/4885HTT 3997/4885

“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.