SCHEMBL5837653

SCHEMBL5837653

CCC(=O)NCC1CN(c2ccc(N3C=CC(=O)CC3)cc2)C(=O)O1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F10 P00742 17/20 0.48
MAOB P27338 3/20 0.46
MAOA P21397 2/20 0.46
LMNA P02545 1/20 0.46
PTGS1 P23219 1/20 0.46
CALML3 P27482 1/20 0.46
SDHA P31040 1/20 0.46

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
SCHEMBL5838370 0.89 MAOA (0.57) F10MAOBMAOALMNAPTGS1
SCHEMBL5839127 0.89 MAOB (0.58) F10MAOBMAOALMNAPTGS1
SCHEMBL5839156 0.87 CYP2E1 (0.50) F10MAOBMAOALMNAPTGS1
SCHEMBL5944701 0.85 CYP2E1 (0.52) F10MAOBMAOALMNAPTGS1
SCHEMBL5838600 0.84 F10 (0.46) F10MAOBMAOALMNAPTGS1
SCHEMBL5838956 0.84 F10 (0.49) F10
SCHEMBL5838149 0.84 MAOB (0.46) F10MAOBMAOALMNAPTGS1
SCHEMBL5838381 0.83 F10 (0.44) F10MAOBMAOALMNAPTGS1
SCHEMBL5838375 0.82 F10 (0.47) F10MAOBMAOALMNAPTGS1
SCHEMBL13942033 0.81 CYP2E1 (0.65) F10MAOBMAOALMNAPTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7105547-B2 Antimicrobial 1-aryl dihydropyridone compounds PHARMACIA AND UPJOHN COMPANY (US) 2006-09-12 US claimed
US-20050070580-A1 Antimicrobial 1-aryl dihydropyridone compounds GORDEEV MIKHAIL FEDOR (US) 2005-03-31 US claimed
US-7105547-B2 Antimicrobial 1-aryl dihydropyridone compounds PHARMACIA AND UPJOHN COMPANY (US) 2006-09-12 US disclosed
US-20050070580-A1 Antimicrobial 1-aryl dihydropyridone compounds GORDEEV MIKHAIL FEDOR (US) 2005-03-31 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-20050070580-A1 Antimicrobial 1-aryl dihydropyridone compounds TLR1, QDPR, AP1S1 F10 4528/4885MAOB 3414/4885MAOA 3032/4885

“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.