SCHEMBL6172231

SCHEMBL6172231

N#CC(C(=S)c1ccc(Cl)cc1)=C1CCCCN1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.51
RAB9A P51151 3/20 0.51
HPGD P15428 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
MAPT P10636 3/20 0.47
MAPK1 P28482 2/20 0.47
TSHR P16473 2/20 0.47
ALDH1A1 P00352 5/20 0.36
GAA P10253 1/20 0.36
CASP1 P29466 1/20 0.33
HSD17B10 Q99714 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
HCRTR1 O43613 1/20 0.30
GPR6 P46095 1/20 0.30
DUSP3 P51452 1/20 0.30
PTPN5 P54829 1/20 0.30
PTPN11 Q06124 1/20 0.30
APOBEC3G Q9HC16 1/20 0.30

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
SCHEMBL6168784 0.80 NPC1 (0.68) NPC1RAB9AHPGDSMN1; SMN2MEN1
SCHEMBL7082654 0.80 NPC1 (0.68) NPC1RAB9AHPGDSMN1; SMN2MEN1
SCHEMBL7782342 0.80 NPC1 (0.47) NPC1RAB9AHPGDSMN1; SMN2MEN1
SCHEMBL7086417 0.79 MAPT (0.74) NPC1RAB9AHPGDSMN1; SMN2MEN1
SCHEMBL6172072 0.79 MAPT (0.74) NPC1RAB9AHPGDSMN1; SMN2MEN1
SCHEMBL14559442 0.78 PHGDH (0.36) NPC1RAB9AHPGDSMN1; SMN2MEN1
SCHEMBL11485620 0.78 RAB9A (0.49) NPC1RAB9AHPGDSMN1; SMN2MEN1
SCHEMBL11485616 0.78 RAB9A (0.49) NPC1RAB9AHPGDSMN1; SMN2MEN1
SCHEMBL11378524 0.75 MAPK1 (0.48) NPC1RAB9AHPGDSMN1; SMN2MEN1
SCHEMBL11378522 0.75 MAPK1 (0.48) 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 3 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

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.