SCHEMBL4888161

SCHEMBL4888161

CN(C)C(=O)c1nc(CCc2ccc(CC(=O)O)s2)cs1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RPS6KB2 Q9UBS0 1/20 0.38
HSD17B10 Q99714 3/20 0.36
GABRA5 P31644 1/20 0.36
GABRB2 P47870 1/20 0.36
ALDH1A1 P00352 6/20 0.35
HPGD P15428 5/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
USP2 O75604 1/20 0.35
KDM4E B2RXH2 4/20 0.34
LMNA P02545 1/20 0.34
GAA P10253 3/20 0.33
MAPT P10636 4/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
ACACA Q13085 1/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
SMN1; SMN2 Q16637 2/20 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
SCHEMBL4890448 0.82 AOC3 (0.35) ALDH1A1KMT2AMEN1GAAMAPT
SCHEMBL4880248 0.76 AOC3 (0.57) ALDH1A1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL5179460 0.76 AOC3 (0.57) ALDH1A1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL4889223 0.76 ALOX5 (0.33) RPS6KB2HSD17B10ALDH1A1HPGDKMT2A
SCHEMBL4889230 0.76 ALOX5 (0.33) RPS6KB2HSD17B10ALDH1A1HPGDKMT2A
SCHEMBL4893025 0.76 ALOX5 (0.33) RPS6KB2HSD17B10ALDH1A1HPGDKMT2A
SCHEMBL4887311 0.74 MAPT (0.42) HSD17B10GABRA5GABRB2ALDH1A1HPGD
SCHEMBL17716402 0.73 SCN9A (0.36) HSD17B10GABRA5GABRB2ALDH1A1KMT2A
SCHEMBL4886906 0.71 SMN1; SMN2 (0.49) ALDH1A1HPGDKMT2AMEN1KDM4E
SCHEMBL68973 0.68 HPGD (0.59) RPS6KB2HSD17B10ALDH1A1HPGDKMT2A

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 RPS6KB2 3270/4885HSD17B10 1895/4885GABRA5 1214/4885

“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.