SCHEMBL4516471

SCHEMBL4516471

N#CC(C#N)(CCC(F)(F)F)Cc1cccc2nsnc12

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.36
HSD17B10 Q99714 2/20 0.36
MAPT P10636 2/20 0.36
HIF1A Q16665 1/20 0.36
ALDH1A1 P00352 4/20 0.33
HPGD P15428 2/20 0.33
TSHR P16473 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TXNRD1 Q16881 1/20 0.33
TXNRD3 Q86VQ6 1/20 0.33
TXNRD2 Q9NNW7 1/20 0.33
CASP1 P29466 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
POLB P06746 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
SCHEMBL4657455 0.71 TAAR1 (0.36) MAPTALDH1A1MEN1KMT2APOLB
SCHEMBL12775851 0.70 KDM4E (0.47) KDM4EHSD17B10MAPTHIF1AALDH1A1
SCHEMBL16533079 0.70 MAPT (0.47) KDM4EHSD17B10MAPTHIF1AALDH1A1
SCHEMBL4657492 0.70 IDO1 (0.36) KDM4EALDH1A1
SCHEMBL4657516 0.67 KDM4E (0.37) KDM4EHSD17B10MAPTALDH1A1HPGD
SCHEMBL4657447 0.66 ATM (0.40) HIF1AALDH1A1SMN1; SMN2
SCHEMBL25399698 0.65 MAPT (0.57) KDM4EHSD17B10MAPTHIF1AALDH1A1
SCHEMBL762893 0.65 KMT2A (0.56) KDM4EHSD17B10MAPTHIF1AALDH1A1
SCHEMBL2805013 0.65 KDM4E (0.52) KDM4EHSD17B10MAPTHIF1AALDH1A1
SCHEMBL7718402 0.65 KDM4E (0.52) KDM4EHSD17B10MAPTHIF1AALDH1A1

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-20090136551-A1 Substituted Dicyanoalkanes For Combating Animal Pests BASF AKTIENGESELLSCHAFT (DE) 2009-05-28 US disclosed
EP-1912958-A1 SUBSTITUTED MALONONITRILE COMPOUNDS FOR COMBATING ANIMAL PESTS BASF SE (DE) 2008-04-23 EP disclosed
WO-2007017414-A1 SUBSTITUTED MALONONITRILE COMPOUNDS FOR COMBATING ANIMAL PESTS BASF SE (DE) 2007-02-15 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-20090136551-A1 Substituted Dicyanoalkanes For Combating Animal Pests DDT, AAK1, DCLK3 KDM4E 2405/4885HSD17B10 1545/4885MAPT 2408/4885

“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.