SCHEMBL9930226

SCHEMBL9930226

COC(=O)N1CC=C(c2cc3c(cc2F)N2C(=O)O[C@@H](CNC(C)=O)[C@@H]2C3)CC1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.47
MAOA P21397 2/20 0.47
CYP2C19 P33261 1/20 0.47
WDR5 P61964 15/20 0.37
KCNH2 Q12809 2/20 0.36
CCNT1 O60563 1/20 0.35
CDK9 P50750 1/20 0.35

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
SCHEMBL14069386 1.00 MAOB (0.47) MAOBMAOACYP2C19WDR5KCNH2
SCHEMBL9929866 0.94 MAOA (0.40) MAOBMAOACYP2C19WDR5CCNT1
SCHEMBL9964846 0.93 MAOB (0.49) MAOBMAOACYP2C19WDR5KCNH2
SCHEMBL9930041 0.90 MAOB (0.47) MAOBMAOACYP2C19WDR5KCNH2
SCHEMBL9930649 0.88 MAOB (0.45) MAOBMAOACYP2C19WDR5KCNH2
SCHEMBL14069385 0.87 MAOA (0.48) MAOBMAOACYP2C19WDR5KCNH2
SCHEMBL4440841 0.87 MAOA (0.48) MAOBMAOACYP2C19WDR5KCNH2
SCHEMBL9964860 0.86 MAOA (0.47) MAOBMAOACYP2C19WDR5KCNH2
SCHEMBL9968668 0.86 CCNT1 (0.40) MAOBMAOACYP2C19WDR5CCNT1
SCHEMBL9929995 0.85 MAOA (0.47) MAOBMAOACYP2C19WDR5KCNH2

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-20120157434-A1 Antimicrobial heterocyclic compounds for treatment of bacterial infections CSO of MicuRx Pharmaceuticals, Inc. 2012-06-21 US disclosed
US-20120157434-A1 Antimicrobial heterocyclic compounds for treatment of bacterial infections CSO of MicuRx Pharmaceuticals, Inc. 2012-06-21 US disclosed
WO-2008108988-A1 ANTIMICROBIAL HETEROCYCLIC COMPOUNDS FOR TREATMENT OF BACTERIAL INFECTIONS MICURX PHARMACEUTICALS, INC. (US) 2008-09-12 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-20120157434-A1 Antimicrobial heterocyclic compounds for treatment of bacterial infections NISCH, NOD1, NQO1 MAOB 761/4885MAOA 1058/4885CYP2C19 47/4885

“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.