SCHEMBL2068095

SCHEMBL2068095

CC(C)(C)ON(C=O)CCNCc1ccc(Cl)nc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.44
PLK1 P53350 1/20 0.40
KDM4E B2RXH2 3/20 0.39
GAA P10253 2/20 0.39
MAPT P10636 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NLRP3 Q96P20 1/20 0.38
OXTR P30559 1/20 0.38
AVPR1A P37288 1/20 0.38
ALDH1A1 P00352 4/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
FAAH O00519 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
TAAR1 Q96RJ0 1/20 0.35

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
SCHEMBL2068019 0.78 MEN1 (0.38) SMN1; SMN2KDM4EMAPTALDH1A1MEN1
SCHEMBL2068529 0.77 CHRM2 (0.50) KDM4EGAAALDH1A1MEN1KMT2A
SCHEMBL5182578 0.77 MEN1 (0.38) SMN1; SMN2PLK1MAPTALDH1A1MEN1
SCHEMBL5181181 0.73 SMN1; SMN2 (0.39) SMN1; SMN2PLK1KDM4EMAPTNLRP3
SCHEMBL5012154 0.71 KDM4E (0.53) SMN1; SMN2PLK1KDM4EGAAMAPT
SCHEMBL30493949 0.71 KDM4E (0.53) SMN1; SMN2PLK1KDM4EGAAMAPT
SCHEMBL3617576 0.70 L3MBTL1 (0.54) SMN1; SMN2PLK1KDM4EGAAMAPT
SCHEMBL9279836 0.70 GAA (0.63) SMN1; SMN2PLK1KDM4EGAAMAPT
SCHEMBL8372045 0.70 KDM4E (0.51) SMN1; SMN2PLK1KDM4EGAAMAPT
SCHEMBL6444346 0.68 KDM4E (0.60) SMN1; SMN2PLK1KDM4EGAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7977332-B2 Insecticidal N-(heteroarylalkyl)alkanediamine derivatives FMC CORPORATION (US) 2011-07-12 US disclosed
US-20110065710-A1 Insecticidal N-(Heteroarylalkyl)Alkanediamine Derivatives FMC CORPORATION 2011-03-17 US disclosed
EP-1689231-A4 INSECTICIDAL N-(HETEROARYLALKYL) ALKANEDIAMINE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2007-11-14 EP disclosed
EP-1689231-A2 INSECTICIDAL N-(HETEROARYLALKYL) ALKANEDIAMINE DERIVATIVES FMC CORPORATION (US) 2006-08-16 EP disclosed
WO-2005055715-A2 INSECTICIDAL N-(HETEROARYLALKYL) ALKANEDIAMINE DERIVATIVES FMC CORPORATION (US) 2005-06-23 WO 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-20110065710-A1 Insecticidal N-(Heteroarylalkyl)Alkanediamine Derivatives DDT, RABL6, ACHE SMN1; SMN2 2602/4885PLK1 4560/4885KDM4E 1754/4885

“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.