SCHEMBL3933787

SCHEMBL3933787

CC(=O)Nc1nc(C=Cc2cccc([N+](=O)[O-])c2[N+](=O)[O-])cs1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
POLB P06746 1/20 0.50
RAB9A P51151 2/20 0.46
MAPT P10636 5/20 0.45
KDM4E B2RXH2 2/20 0.45
HSD17B10 Q99714 2/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
NPC1 O15118 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MAPK1 P28482 2/20 0.43
ALDH1A1 P00352 1/20 0.43
DYRK1A Q13627 1/20 0.41
TP53 P04637 1/20 0.39
ABL1 P00519 2/20 0.39
GRM5 P41594 1/20 0.39

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
SCHEMBL3933783 1.00 MEN1 (0.50) MEN1KMT2APOLBRAB9AMAPT
SCHEMBL4877984 0.78 MAPT (0.48) MEN1KMT2APOLBRAB9AMAPT
SCHEMBL4877976 0.78 MAPT (0.48) MEN1KMT2APOLBRAB9AMAPT
SCHEMBL4882200 0.78 MAPT (0.48) MEN1KMT2APOLBRAB9AMAPT
SCHEMBL4863810 0.77 RAB9A (0.52) MEN1KMT2APOLBRAB9AMAPT
SCHEMBL4863816 0.77 RAB9A (0.52) MEN1KMT2APOLBRAB9AMAPT
SCHEMBL4893038 0.76 MAPT (0.49) MEN1KMT2APOLBRAB9AMAPT
SCHEMBL4893029 0.76 MAPT (0.49) MEN1KMT2APOLBRAB9AMAPT
SCHEMBL3932557 0.76 RAB9A (0.62) MEN1KMT2APOLBRAB9AMAPT
SCHEMBL3932546 0.76 RAB9A (0.62) MEN1KMT2APOLBRAB9AMAPT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1786792-B1 THIAZOLE DERIVATIVES HAVING VAP-1 INHIBITORY ACTIVITY ASTELLAS PHARMA INC (JP) 2009-04-08 EP disclosed
US-20070254931-A1 Thiazole Derivatives Having Vap-1 Inhibitory Activity ASTELLAS PHARMA INC. (JP) 2007-11-01 US disclosed
EP-1786792-A2 THIAZOLE DERIVATIVES HAVING VAP-1 INHIBITORY ACTIVITY Astellas Pharma Inc. (JP) 2007-05-23 EP disclosed
WO-2006011631-A2 THIAZOLE DERIVATIVES HAVING VAP-1 INHIBITORY ACTIVITY ASTELLAS PHARMA INC. (JP) 2006-02-02 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-20070254931-A1 Thiazole Derivatives Having Vap-1 Inhibitory Activity VCAM1, VAPB, VAPA MEN1 3203/4885KMT2A 4562/4885POLB 2497/4885

“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.