SCHEMBL6168784

SCHEMBL6168784

N#CC(C(=O)c1ccc(-c2ccc(Cl)cc2)cc1)=C1CCCCN1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.68
RAB9A P51151 4/20 0.68
HPGD P15428 1/20 0.68
SMN1; SMN2 Q16637 1/20 0.68
MEN1 O00255 2/20 0.64
KMT2A Q03164 2/20 0.64
MAPT P10636 2/20 0.64
TSHR P16473 1/20 0.64
MAPK1 P28482 1/20 0.64
CES2 O00748 3/20 0.38
CES1 P23141 3/20 0.38
ALDH1A1 P00352 4/20 0.34
SLC2A1 P11166 2/20 0.34
GAA P10253 1/20 0.34
MMP2 P08253 1/20 0.33
MMP9 P14780 1/20 0.33
MMP8 P22894 1/20 0.33
PGR P06401 1/20 0.33
RAPGEF3 O95398 1/20 0.32
RAPGEF4 Q8WZA2 1/20 0.32

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
SCHEMBL7082654 1.00 NPC1 (0.68) NPC1RAB9AHPGDSMN1; SMN2MEN1
SCHEMBL6172072 0.92 MAPT (0.74) NPC1RAB9AHPGDSMN1; SMN2MEN1
SCHEMBL7086417 0.92 MAPT (0.74) NPC1RAB9AHPGDSMN1; SMN2MEN1
SCHEMBL7079886 0.83 NPC1 (0.73) NPC1RAB9AHPGDSMN1; SMN2MEN1
SCHEMBL6169261 0.83 NPC1 (0.73) NPC1RAB9AHPGDSMN1; SMN2MEN1
SCHEMBL6172231 0.80 NPC1 (0.51) NPC1RAB9AHPGDSMN1; SMN2MEN1
SCHEMBL14559440 0.80 MAPT (0.45) NPC1RAB9AHPGDSMN1; SMN2MEN1
SCHEMBL6171431 0.79 NPC1 (0.60) NPC1RAB9AHPGDSMN1; SMN2MEN1
SCHEMBL6172940 0.79 NPC1 (0.67) NPC1RAB9AHPGDSMN1; SMN2MEN1
SCHEMBL7083412 0.79 NPC1 (0.67) NPC1RAB9AHPGDSMN1; SMN2MEN1

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 NPC1 3964/4885RAB9A 2543/4885HPGD 2376/4885

“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.