SCHEMBL5838249

SCHEMBL5838249

CC(=O)NCC1CN(c2cc(F)c(N3C=CC(=O)CC3)c(F)c2)C(=O)O1

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAOA P21397 5/20 0.58
MAOB P27338 3/20 0.58
PTGS1 P23219 2/20 0.58
SDHA P31040 2/20 0.58
LMNA P02545 1/20 0.58
CALML3 P27482 1/20 0.58
CYP2E1 P05181 1/20 0.51
F10 P00742 4/20 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
SCHEMBL5839156 0.90 CYP2E1 (0.50) MAOAMAOBPTGS1SDHALMNA
SCHEMBL5838912 0.90 CYP2E1 (0.50) MAOAMAOBPTGS1SDHALMNA
SCHEMBL5839555 0.89 CYP2E1 (0.50) MAOAMAOBPTGS1SDHALMNA
SCHEMBL5839391 0.88 CYP2E1 (0.49) MAOAMAOBPTGS1SDHALMNA
SCHEMBL13260904 0.88 CYP2E1 (0.67) MAOAMAOBPTGS1SDHALMNA
SCHEMBL5945209 0.88 CYP2E1 (0.67) MAOAMAOBPTGS1SDHALMNA
SCHEMBL5837798 0.88 MAOA (0.70) MAOAMAOBPTGS1SDHALMNA
SCHEMBL5839211 0.87 CYP2E1 (0.47) MAOAMAOBPTGS1SDHALMNA
SCHEMBL5838155 0.87 CYP2E1 (0.49) MAOAMAOBPTGS1SDHALMNA
SCHEMBL5838370 0.87 MAOA (0.57) MAOAMAOBPTGS1SDHALMNA

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 MAOA 3032/4885MAOB 3414/4885PTGS1 626/4885

“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.