SCHEMBL4890676

SCHEMBL4890676

CC(=O)Nc1nc(CCc2ccc(CC(=O)N3CCC(NC(=O)O)C3)s2)cs1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 12/20 0.45
SIRT1 Q96EB6 1/20 0.41
SIRT3 Q9NTG7 1/20 0.41
ADRA2B P18089 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
TMEM97 Q5BJF2 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
MAOB P27338 3/20 0.39
TACR2 P21452 1/20 0.39
TACR1 P25103 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
KMT2A Q03164 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
F2 P00734 2/20 0.37
F10 P00742 2/20 0.37

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
SCHEMBL4890414 0.89 AOC3 (0.45) AOC3SIRT1SIRT3ADRA2BSLC6A4
SCHEMBL4887678 0.86 AOC3 (0.47) AOC3SIRT1SIRT3ADRA2BSLC6A4
SCHEMBL4889728 0.85 AOC3 (0.47) AOC3SIRT1SIRT3MAOBSMN1; SMN2
SCHEMBL4886424 0.83 AOC3 (0.48) AOC3SIRT1SIRT3MAOBSMN1; SMN2
SCHEMBL5178338 0.82 AOC3 (0.39) AOC3SIRT1SIRT3ADRA2BSLC6A4
SCHEMBL4887394 0.81 AOC3 (0.47) AOC3SIRT1SIRT3MAOBSMN1; SMN2
SCHEMBL5179460 0.78 AOC3 (0.57) AOC3MAOBSMN1; SMN2KMT2ANPC1
SCHEMBL4880248 0.78 AOC3 (0.57) AOC3MAOBSMN1; SMN2KMT2ANPC1
SCHEMBL4886875 0.77 AOC3 (0.59) AOC3ADRA2BSLC6A4SLC6A3TMEM97
SCHEMBL4890415 0.77 AOC3 (0.44) AOC3SIRT1MAOBSMN1; SMN2KMT2A

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 1 patent. 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

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 163/4885SIRT1 2160/4885SIRT3 1781/4885

“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.