SCHEMBL9930195

SCHEMBL9930195

O=C1C=CN(c2cc3c(cc2F)N2C(=O)O[C@@H](Cn4ccnn4)[C@@H]2C3)CC1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAOA P21397 10/20 0.40
MAOB P27338 2/20 0.40
KCNH2 Q12809 1/20 0.38
CYP2E1 P05181 1/20 0.33
CYP3A4 P08684 2/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.31

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
SCHEMBL4554760 1.00 MAOA (0.40) MAOAMAOBKCNH2CYP2E1CYP3A4
SCHEMBL9964667 0.83 MAOA (0.42) MAOAMAOBKCNH2CYP3A4CYP2D6
SCHEMBL9930258 0.83 MAOA (0.36) MAOAMAOBKCNH2CYP2E1CYP2C19
SCHEMBL9964805 0.81 MAOA (0.44) MAOAMAOBKCNH2CYP3A4CYP2D6
SCHEMBL9964800 0.81 MAOA (0.44) MAOAMAOBKCNH2CYP3A4CYP2D6
SCHEMBL9968722 0.79 MAOA (0.42) MAOAMAOBKCNH2CYP3A4CYP2D6
SCHEMBL13260631 0.78 MAOA (0.58) MAOAMAOBKCNH2CYP2E1CYP3A4
SCHEMBL5944820 0.78 MAOA (0.58) MAOAMAOBKCNH2CYP2E1CYP3A4
SCHEMBL9930289 0.78 MAOB (0.54) MAOAMAOBKCNH2CYP2E1CYP2C19
SCHEMBL9930577 0.77 MAOA (0.36) MAOAMAOBCYP2E1CYP2C19

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 1 patent. 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

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 MAOA 1058/4885MAOB 761/4885KCNH2 1295/4885

“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.