SCHEMBL9964844

SCHEMBL9964844

CC(=O)N1CC=C(c2cc3c(cc2F)N2C(=O)O[C@@H](Cn4ccnn4)[C@@H]2C3)CC1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 2/20 0.38
MAOA P21397 16/20 0.37
MAOB P27338 2/20 0.35
CYP3A4 P08684 2/20 0.34
CYP2D6 P10635 1/20 0.34
KCNH2 Q12809 1/20 0.34
CYP2C19 P33261 1/20 0.33

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
SCHEMBL4555097 0.92 WDR5 (0.38) WDR5MAOAMAOB
SCHEMBL9930167 0.92 MAOA (0.36) WDR5MAOAMAOBCYP3A4CYP2D6
SCHEMBL9930353 0.90 MAOA (0.35) WDR5MAOAMAOBCYP3A4CYP2D6
SCHEMBL14069388 0.87 MAOA (0.38) MAOAMAOBCYP3A4CYP2D6KCNH2
SCHEMBL4553635 0.87 MAOA (0.38) MAOAMAOBCYP3A4CYP2D6KCNH2
SCHEMBL9964842 0.86 MAOA (0.38) MAOAMAOBCYP3A4CYP2D6KCNH2
SCHEMBL4554861 0.86 KCNH2 (0.38) MAOAMAOBCYP3A4CYP2D6KCNH2
SCHEMBL9964846 0.84 MAOB (0.49) WDR5MAOAMAOBKCNH2CYP2C19
SCHEMBL9929970 0.78 CCNT1 (0.37) WDR5MAOAMAOBCYP2C19
SCHEMBL14069896 0.78 CCNT1 (0.37) WDR5MAOAMAOBCYP2C19

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 WDR5 3083/4885MAOA 1058/4885MAOB 761/4885

“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.