SCHEMBL6280201

SCHEMBL6280201

NC/C=C/Cc1ccccc1

nearest known ligand 0.75

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.75
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
ARG2 P78540 1/20 0.50
AOC3 Q16853 1/20 0.48
LOXL2 Q9Y4K0 2/20 0.48
TOP1 P11387 1/20 0.46
HTR2A P28223 3/20 0.44
CYP2A6 P11509 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TAAR1 Q96RJ0 1/20 0.44
IDO1 P14902 1/20 0.42
AGXT P21549 1/20 0.41
KCNH2 Q12809 2/20 0.40
MAOA P21397 1/20 0.39
CALM1 P0DP23 1/20 0.39
MAPK1 P28482 1/20 0.38

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
SCHEMBL1436 1.00 MAOB (0.75) MAOBCA1CA2ARG2AOC3
Water SCHEMBL3478300 0.98 MAOB (0.71) MAOBCA1CA2ARG2AOC3
Hydrochloric Acid SCHEMBL5137799 0.98 MAOB (0.71) MAOBCA1CA2ARG2AOC3
SCHEMBL795584 0.93 MAOB (0.65) MAOBCA1CA2ARG2AOC3
SCHEMBL155055 0.87 MAOB (1.00) MAOBCA1CA2ARG2LOXL2
SCHEMBL1524697 0.87 MAOB (1.00) MAOBCA1CA2ARG2LOXL2
SCHEMBL155054 0.87 MAOB (1.00) MAOBCA1CA2ARG2LOXL2
SCHEMBL5489486 0.83 MAOB (0.50) MAOBCA1CA2ARG2AOC3
SCHEMBL5956337 0.81 MAOB (0.68) MAOBCA1CA2ARG2LOXL2
SCHEMBL3288071 0.78 MAOB (0.62) MAOBCA1CA2ARG2LOXL2

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-6951963-B2 Process for preparing N-protected β-amino aldehyde compounds THERAVANCE, INC. (US) 2005-10-04 US disclosed
WO-2003106399-A2 PROCESS FOR PREPARING N-PROTECTED β-AMINO ALDEHYDE COMPOUNDS THERAVANCE, INC. (US) 2003-12-24 WO disclosed
US-20030233010-A1 Process for perparing N-protected beta-amino aldehyde compounds CUMBERLAND PHARMACEUTICALS INC. 2003-12-18 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-20030233010-A1 Process for perparing N-protected beta-amino aldehyde compounds DNPEP, PREP, ANPEP MAOB 700/4885CA1 629/4885CA2 2329/4885

“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.