SCHEMBL6364834

SCHEMBL6364834

CC(=O)NCC1CN(c2ccc3c(c2)NCCc2cnoc2-3)C(=O)O1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAOA P21397 5/20 0.54
CALML3 P27482 3/20 0.49
MAOB P27338 2/20 0.49
PTGS1 P23219 2/20 0.49
SDHA P31040 2/20 0.49
LMNA P02545 1/20 0.49
ABCB11 O95342 1/20 0.44
F10 P00742 3/20 0.42

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
SCHEMBL6364832 1.00 MAOA (0.54) MAOACALML3MAOBPTGS1SDHA
SCHEMBL6366265 0.91 MAOA (0.53) MAOACALML3MAOBPTGS1SDHA
SCHEMBL6366268 0.91 MAOA (0.53) MAOACALML3MAOBPTGS1SDHA
SCHEMBL6213335 0.89 MAOA (0.53) MAOACALML3MAOBPTGS1SDHA
SCHEMBL9831990 0.86 MAOA (0.56) MAOACALML3MAOBPTGS1SDHA
SCHEMBL9800437 0.86 MAOA (0.56) MAOACALML3MAOBPTGS1SDHA
SCHEMBL6483383 0.85 MAOA (0.57) MAOACALML3MAOBPTGS1SDHA
SCHEMBL6483387 0.85 MAOA (0.57) MAOACALML3MAOBPTGS1SDHA
SCHEMBL6213406 0.85 MAOA (0.53) MAOACALML3MAOBPTGS1SDHA
SCHEMBL6241201 0.84 MAOA (0.51) MAOACALML3MAOBPTGS1SDHA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050277630-A1 Antibacterial agents CHUPAK LOUIS S 2005-12-15 US claimed
US-20050277630-A1 Antibacterial agents CHUPAK LOUIS S 2005-12-15 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-20050277630-A1 Antibacterial agents MRPL21, RPN2, FBL MAOA 236/4885CALML3 4366/4885MAOB 221/4885

“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.