SCHEMBL4886281

SCHEMBL4886281

CC(=O)Nc1nc(CCc2ccc(CC(=O)O)n2C)cs1

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 16/20 0.55
SMN1; SMN2 Q16637 2/20 0.51
KMT2A Q03164 1/20 0.51
MAOB P27338 3/20 0.50
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL4887968 0.84 AOC3 (0.52) AOC3SMN1; SMN2KMT2AMAOBNPC1
SCHEMBL2068304 0.80 AOC3 (0.74) AOC3SMN1; SMN2KMT2AMAOBNPC1
SCHEMBL2788439 0.79 SMN1; SMN2 (0.69) AOC3SMN1; SMN2KMT2AMAOBNPC1
SCHEMBL4880248 0.78 AOC3 (0.57) AOC3SMN1; SMN2KMT2AMAOBNPC1
SCHEMBL5179460 0.78 AOC3 (0.57) AOC3SMN1; SMN2KMT2AMAOBNPC1
SCHEMBL4886988 0.76 SMN1; SMN2 (0.65) AOC3SMN1; SMN2KMT2AMAOBNPC1
SCHEMBL971493 0.76 AOC3 (0.67) AOC3SMN1; SMN2KMT2AMAOBNPC1
SCHEMBL4893124 0.76 KDM4E (0.49) AOC3SMN1; SMN2KMT2ANPC1RAB9A
SCHEMBL4893118 0.76 KDM4E (0.49) AOC3SMN1; SMN2KMT2ANPC1RAB9A
SCHEMBL8430108 0.76 AOC3 (0.76) AOC3SMN1; SMN2KMT2AMAOBNPC1

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 AOC3 163/4885SMN1; SMN2 2277/4885KMT2A 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.