SCHEMBL5837500

SCHEMBL5837500

O=C1C=CN(c2ccc(N3C[C@H](CO)OC3=O)cc2F)CC1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CALML3 P27482 7/20 0.55
MAOA P21397 6/20 0.49
MAOB P27338 9/20 0.49
LMNA P02545 1/20 0.49
PTGS1 P23219 1/20 0.49
SDHA P31040 1/20 0.49
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
F10 P00742 1/20 0.46
CYP2E1 P05181 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
SCHEMBL5837497 1.00 CALML3 (0.55) CALML3MAOAMAOBLMNAPTGS1
SCHEMBL5839414 0.89 CYP2E1 (0.50) CALML3MAOAMAOBLMNAPTGS1
Hydrochloric Acid SCHEMBL5838900 0.88 CYP2E1 (0.49) CALML3MAOAMAOBLMNAPTGS1
Hydrochloric Acid SCHEMBL5838389 0.88 CYP2E1 (0.49) CALML3MAOAMAOBLMNAPTGS1
SCHEMBL5945316 0.87 CYP2E1 (0.51) CALML3MAOAMAOBLMNAPTGS1
SCHEMBL13260934 0.87 CYP2E1 (0.51) CALML3MAOAMAOBLMNAPTGS1
SCHEMBL5838128 0.86 MAOB (0.58) CALML3MAOAMAOBLMNAPTGS1
SCHEMBL13942140 0.86 CYP2E1 (0.52) CALML3MAOAMAOBLMNAPTGS1
SCHEMBL5945278 0.86 CYP2E1 (0.52) CALML3MAOAMAOBLMNAPTGS1
SCHEMBL5837798 0.85 MAOA (0.70) CALML3MAOAMAOBLMNAPTGS1

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-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 CALML3 2881/4885MAOA 3032/4885MAOB 3414/4885

“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.