SCHEMBL4887034

SCHEMBL4887034

CC(=O)Nc1nc(CCc2ccc(CCNC(=N)N)s2)cs1

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 17/20 0.55
MAOB P27338 3/20 0.53
SMN1; SMN2 Q16637 2/20 0.48
KMT2A Q03164 1/20 0.48
NPC1 O15118 1/20 0.44
RAB9A P51151 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
SCHEMBL14281001 0.94 AOC3 (0.53) AOC3MAOBSMN1; SMN2KMT2ANPC1
Hydrochloric Acid SCHEMBL4887627 0.93 AOC3 (0.52) AOC3MAOBSMN1; SMN2KMT2ANPC1
SCHEMBL4882620 0.91 AOC3 (0.55) AOC3MAOBSMN1; SMN2KMT2ANPC1
Hydrochloric Acid SCHEMBL4886663 0.90 AOC3 (0.54) AOC3MAOBSMN1; SMN2KMT2ANPC1
SCHEMBL4887312 0.87 AOC3 (0.55) AOC3MAOBSMN1; SMN2KMT2ANPC1
SCHEMBL973588 0.87 AOC3 (0.55) AOC3MAOBSMN1; SMN2KMT2ANPC1
SCHEMBL3000919 0.86 AOC3 (0.70) AOC3MAOBSMN1; SMN2KMT2A
Hydrochloric Acid SCHEMBL973394 0.86 AOC3 (0.54) AOC3MAOBSMN1; SMN2KMT2ANPC1
Hydrochloric Acid SCHEMBL4876217 0.85 AOC3 (0.69) AOC3MAOB
SCHEMBL14281008 0.85 AOC3 (0.56) AOC3MAOBSMN1; SMN2KMT2ANPC1

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 5 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
US-20080015202-A1 Thiazole Derivatives Having Vap-1 Inhibitory Activity ASTELLAS PHARMA INC. (JP) 2008-01-17 US disclosed
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 163/4885MAOB 1224/4885SMN1; SMN2 2277/4885

“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.