SCHEMBL5838470

SCHEMBL5838470

O=C1C=CN(c2ccc(N3C[C@H](Cn4ccnn4)OC3=O)cc2)CC1

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAOA P21397 16/20 0.59
MAOB P27338 1/20 0.59
CYP3A4 P08684 3/20 0.56
CYP2D6 P10635 1/20 0.56
KCNH2 Q12809 1/20 0.54
CYP2C9 P11712 1/20 0.47

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
SCHEMBL13942438 0.89 MAOA (0.71) MAOAMAOBCYP3A4CYP2D6KCNH2
SCHEMBL5838364 0.89 MAOA (0.71) MAOAMAOBCYP3A4CYP2D6KCNH2
SCHEMBL5945025 0.85 MAOA (0.57) MAOAMAOBCYP3A4CYP2D6KCNH2
SCHEMBL13941347 0.85 MAOA (0.57) MAOAMAOBCYP3A4CYP2D6KCNH2
SCHEMBL5944820 0.84 MAOA (0.58) MAOAMAOBCYP3A4CYP2D6KCNH2
SCHEMBL13260631 0.84 MAOA (0.58) MAOAMAOBCYP3A4CYP2D6KCNH2
SCHEMBL3325038 0.81 MAOA (0.60) MAOAMAOBCYP3A4CYP2D6KCNH2
SCHEMBL5944787 0.81 CYP2E1 (0.61) MAOAMAOBCYP3A4CYP2D6KCNH2
SCHEMBL13941358 0.81 CYP2E1 (0.61) MAOAMAOBCYP3A4CYP2D6KCNH2
SCHEMBL11969072 0.80 MAOA (0.58) MAOAMAOBCYP3A4CYP2D6KCNH2

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-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 3414/4885CYP3A4 1310/4885

“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.