SCHEMBL4886906

SCHEMBL4886906

CN(C)C(=O)c1nc(CCl)cs1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.49
KMT2A Q03164 3/20 0.49
LMNA P02545 2/20 0.41
ALDH1A1 P00352 9/20 0.40
KDM4E B2RXH2 4/20 0.40
TDP1 Q9NUW8 5/20 0.39
RAB9A P51151 4/20 0.39
NPC1 O15118 3/20 0.39
MAPT P10636 2/20 0.38
GFER P55789 2/20 0.38
HPGD P15428 1/20 0.38
POLB P06746 1/20 0.37
GAA P10253 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
SCN9A Q15858 1/20 0.35
MEN1 O00255 2/20 0.35
CACNA1G O43497 1/20 0.33
CACNA1H O95180 1/20 0.33
CACNA1I Q9P0X4 1/20 0.33

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
SCHEMBL17716402 0.84 SCN9A (0.36) SMN1; SMN2KMT2AALDH1A1TDP1RAB9A
SCHEMBL855213 0.80 SMN1; SMN2 (0.57) SMN1; SMN2KMT2ALMNAALDH1A1KDM4E
SCHEMBL4890454 0.78 SMN1; SMN2 (0.50) SMN1; SMN2KMT2ALMNAALDH1A1KDM4E
SCHEMBL1118859 0.78 SMN1; SMN2 (0.50) SMN1; SMN2KMT2ALMNAALDH1A1KDM4E
SCHEMBL5988033 0.77 SMN1; SMN2 (0.49) SMN1; SMN2KMT2ALMNAALDH1A1KDM4E
SCHEMBL14825340 0.76 SMN1; SMN2 (0.53) SMN1; SMN2KMT2ALMNAALDH1A1KDM4E
SCHEMBL4883603 0.76 SMN1; SMN2 (0.53) SMN1; SMN2KMT2ALMNAALDH1A1KDM4E
SCHEMBL10833045 0.75 SMN1; SMN2 (0.42) SMN1; SMN2KMT2ALMNAALDH1A1KDM4E
Formaldehyde SCHEMBL28793964 0.75 SMN1; SMN2 (0.47) SMN1; SMN2KMT2ALMNAALDH1A1KDM4E
SCHEMBL5177254 0.74 HSD17B10 (0.43) SMN1; SMN2KMT2AKDM4ERAB9ANPC1

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-20080015202-A1 Thiazole Derivatives Having Vap-1 Inhibitory Activity ASTELLAS PHARMA INC. (JP) 2008-01-17 US disclosed
EP-1791835-A2 THIAZOLE DERIVATIVES HAVING VAP-1 INHIBITORY ACTIVITY Astellas Pharma Inc. (JP) 2007-06-06 EP disclosed
WO-2006028269-A2 THIAZOLE DERIVATIVES HAVING VAP-1 IHIBITORY ACTIVITY ASTELLAS PHARMA INC. (JP) 2006-03-16 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-20080015202-A1 Thiazole Derivatives Having Vap-1 Inhibitory Activity VCAM1, VAPB, VAPA SMN1; SMN2 2277/4885KMT2A 4199/4885LMNA 2418/4885

“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.