SCHEMBL5838810

SCHEMBL5838810

Nc1cc(F)c(N2C=CC(=O)CC2)c(F)c1

nearest known ligand 0.39

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CYP2E1 P05181 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL5945170 0.83 CYP2E1 (0.43) CYP2E1
SCHEMBL3033079 0.79 ALDH1A1 (0.43) CYP2E1SMN1; SMN2
SCHEMBL5243546 0.78 ALOX5 (0.31) SMN1; SMN2
SCHEMBL3037813 0.78 ALDH1A1 (0.45) CYP2E1SMN1; SMN2
SCHEMBL5243502 0.77 ALOX5 (0.30) SMN1; SMN2
SCHEMBL3035256 0.74 MAOA (0.64) CYP2E1
Hydrochloric Acid SCHEMBL5839214 0.73 CYP2E1 (0.54) CYP2E1
SCHEMBL3037946 0.73 DDB1 (0.43) SMN1; SMN2
SCHEMBL5945198 0.72 CYP2E1 (0.40) CYP2E1SMN1; SMN2
SCHEMBL5622837 0.70 ALDH1A1 (0.41) SMN1; SMN2

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 disclosed
EP-1554273-A1 ANTIMICROBIAL 1-ARYL DIHYDROPYRIDONE COMPOUNDS Pharmacia & Upjohn Company LLC (US) 2005-07-20 EP disclosed
US-20050070580-A1 Antimicrobial 1-aryl dihydropyridone compounds GORDEEV MIKHAIL FEDOR (US) 2005-03-31 US disclosed
WO-2004033449-A1 ANTIMICROBIAL 1-ARYL DIHYDROPYRIDONE COMPOUNDS PHARMACIA & UPJOHN COMPANY LLC (US) 2004-04-22 WO 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 CYP2E1 1078/4885SMN1; SMN2 2518/4885

“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.