SCHEMBL4893029

SCHEMBL4893029

CC(=O)Nc1nc(/C=C/c2ccc([N+](=O)[O-])s2)cs1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.49
MEN1 O00255 8/20 0.49
KMT2A Q03164 8/20 0.49
LMNA P02545 7/20 0.49
HTT P42858 4/20 0.49
NPC1 O15118 3/20 0.49
RAB9A P51151 6/20 0.48
KDM4E B2RXH2 2/20 0.48
HSD17B10 Q99714 1/20 0.48
SMN1; SMN2 Q16637 4/20 0.45
MITF O75030 4/20 0.45
XBP1 P17861 1/20 0.45
TLR9 Q9NR96 1/20 0.45
POLB P06746 2/20 0.44
PAX8 Q06710 1/20 0.43
TP53 P04637 1/20 0.43
THRB P10828 1/20 0.43
ALDH1A1 P00352 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CSNK2A2 P19784 1/20 0.42

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
SCHEMBL4893038 1.00 MAPT (0.49) MAPTMEN1KMT2ALMNAHTT
SCHEMBL4891163 0.82 KDM4E (0.53) MAPTMEN1KMT2ALMNAHTT
SCHEMBL4891174 0.82 KDM4E (0.53) MAPTMEN1KMT2ALMNAHTT
SCHEMBL4882650 0.81 KDM4E (0.52) MAPTKMT2ALMNANPC1RAB9A
SCHEMBL4882659 0.81 KDM4E (0.52) MAPTKMT2ALMNANPC1RAB9A
SCHEMBL4883400 0.80 KDM4E (0.51) MAPTMEN1KMT2ALMNAHTT
SCHEMBL4883404 0.80 KDM4E (0.51) MAPTMEN1KMT2ALMNAHTT
SCHEMBL973475 0.80 KDM4E (0.51) MAPTMEN1KMT2ALMNAHTT
SCHEMBL973476 0.80 KDM4E (0.51) MAPTMEN1KMT2ALMNAHTT
SCHEMBL4883395 0.80 KDM4E (0.51) MAPTMEN1KMT2ALMNAHTT

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 MAPT 1178/4885MEN1 4721/4885KMT2A 4199/4885

“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.