SCHEMBL6172393

SCHEMBL6172393

N#CC(C(=O)c1ccc(C(F)(F)F)cc1)=C1CCCN1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.69
TSHR P16473 2/20 0.69
KMT2A Q03164 2/20 0.69
MAPK1 P28482 2/20 0.69
MAPT P10636 1/20 0.69
HPGD P15428 2/20 0.62
NPC1 O15118 1/20 0.62
RAB9A P51151 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
CES2 O00748 1/20 0.46
CES1 P23141 1/20 0.46
GSK3B P49841 2/20 0.38
DHODH Q02127 1/20 0.36
RAPGEF3 O95398 1/20 0.36
RAPGEF4 Q8WZA2 1/20 0.36
SRD5A2 P31213 1/20 0.36
GPR6 P46095 1/20 0.35
PTPN1 P18031 1/20 0.35
DPP4 P27487 1/20 0.34
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL7086102 1.00 MEN1 (0.69) MEN1TSHRKMT2AMAPK1MAPT
SCHEMBL6171653 0.84 MEN1 (0.64) MEN1TSHRKMT2AMAPK1MAPT
SCHEMBL7085153 0.84 MEN1 (0.64) MEN1TSHRKMT2AMAPK1MAPT
SCHEMBL6172072 0.82 MAPT (0.74) MEN1TSHRKMT2AMAPK1MAPT
SCHEMBL7086417 0.82 MAPT (0.74) MEN1TSHRKMT2AMAPK1MAPT
SCHEMBL5372820 0.81 MEN1 (0.45) MEN1TSHRKMT2AMAPK1MAPT
SCHEMBL14559437 0.81 MEN1 (0.45) MEN1TSHRKMT2AMAPK1MAPT
SCHEMBL5372817 0.81 MEN1 (0.45) MEN1TSHRKMT2AMAPK1MAPT
SCHEMBL6169261 0.78 NPC1 (0.73) MEN1TSHRKMT2AMAPK1MAPT
SCHEMBL7079886 0.78 NPC1 (0.73) MEN1TSHRKMT2AMAPK1MAPT

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
EP-1129071-B1 PHENYL-SUBSTITUTED CYCLIC ENAMINONES BAYER CROPSCIENCE AG (DE) 2005-10-26 EP disclosed
US-20030130125-A1 Phenyl-substituted cyclic enaminones FISCHER REINER (DE) 2003-07-10 US disclosed
US-6455472-B1 HERBICIDES, ACARICIDES, NEMATICIDES AND INSECTICIDES FOR CROPS BAYER AKTIENGESELLSCHAFT (DE) 2002-09-24 US disclosed
EP-1129071-A1 PHENYL-SUBSTITUTED CYCLIC ENAMINONES Bayer Aktiengesellschaft (DE) 2001-09-05 EP disclosed
WO-2000027812-A1 PHENYL-SUBSTITUTED CYCLIC ENAMINONES BAYER AKTIENGESELLSCHAFT (DE) 2000-05-18 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-20030130125-A1 Phenyl-substituted cyclic enaminones DDT, CYP19A1, KCNA1 MEN1 2817/4885TSHR 717/4885KMT2A 506/4885

“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.