SCHEMBL4890441

SCHEMBL4890441

CC(=O)Nc1nc(CCc2ccc(CN3CCC(NC(=O)O)C3)cc2)cs1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 16/20 0.58
MAOB P27338 3/20 0.51
ADRA2B P18089 1/20 0.50
SLC6A4 P31645 1/20 0.50
SLC6A3 Q01959 1/20 0.50
TMEM97 Q5BJF2 1/20 0.50
SIGMAR1 Q99720 1/20 0.50
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ROCK2 O75116 1/20 0.43
TACR2 P21452 1/20 0.43
TACR1 P25103 1/20 0.43

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
SCHEMBL4886875 0.93 AOC3 (0.59) AOC3MAOBADRA2BSLC6A4SLC6A3
SCHEMBL14281004 0.85 AOC3 (0.61) AOC3MAOBADRA2BSLC6A4SLC6A3
Hydrochloric Acid SCHEMBL4888620 0.85 AOC3 (0.60) AOC3MAOBADRA2BSLC6A4SLC6A3
SCHEMBL5178345 0.81 AOC3 (0.56) AOC3MAOBADRA2BSLC6A4SLC6A3
SCHEMBL4885619 0.80 AOC3 (0.61) AOC3MAOBKMT2ASMN1; SMN2
SCHEMBL14281006 0.80 AOC3 (0.61) AOC3MAOBADRA2BSLC6A4SLC6A3
SCHEMBL4880224 0.79 AOC3 (0.63) AOC3MAOBKMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL4880230 0.79 AOC3 (0.60) AOC3MAOBADRA2BSLC6A4SLC6A3
SCHEMBL16654336 0.78 ALDH1A1 (0.58) SIGMAR1KMT2AROCK2
SCHEMBL4889744 0.77 AOC3 (0.58) AOC3MAOBADRA2BSLC6A4SLC6A3

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 163/4885MAOB 1224/4885ADRA2B 391/4885

“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.