SCHEMBL9964815

SCHEMBL9964815

CC(=O)NC[C@@H]1OC(=O)N2c3ccc(C4=CCCCC4)cc3C[C@@H]12

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.46
HDAC1 Q13547 6/20 0.45
HDAC2 Q92769 6/20 0.45
HDAC3 O15379 2/20 0.45
MAOA P21397 2/20 0.42
MAOB P27338 2/20 0.42
CYP2C19 P33261 1/20 0.42
F10 P00742 9/20 0.39
LMNA P02545 1/20 0.35
PTGS1 P23219 1/20 0.35
CALML3 P27482 1/20 0.35
SDHA P31040 1/20 0.35
TRIM24 O15164 1/20 0.35
PRMT5 O14744 1/20 0.34
WDR77 Q9BQA1 1/20 0.34

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
SCHEMBL9964911 0.85 KCNH2 (0.44) KCNH2MAOAMAOBCYP2C19F10
SCHEMBL4555076 0.85 MAOA (0.47) KCNH2MAOAMAOBCYP2C19F10
SCHEMBL9929840 0.85 MAOA (0.46) KCNH2MAOAMAOBCYP2C19F10
SCHEMBL9930084 0.84 KCNH2 (0.43) KCNH2HDAC1HDAC2HDAC3MAOA
SCHEMBL9964912 0.83 KCNH2 (0.42) KCNH2MAOAMAOBCYP2C19F10
SCHEMBL9930383 0.83 KCNH2 (0.42) KCNH2MAOAMAOBCYP2C19F10
SCHEMBL9090265 0.82 KCNH2 (0.53) KCNH2MAOAMAOBCYP2C19F10
SCHEMBL9092477 0.82 KCNH2 (0.53) KCNH2MAOAMAOBCYP2C19F10
SCHEMBL9090234 0.81 KCNH2 (0.49) KCNH2MAOAMAOBCYP2C19F10
SCHEMBL9093206 0.81 KCNH2 (0.49) KCNH2MAOAMAOBCYP2C19F10

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 KCNH2 1295/4885HDAC1 167/4885HDAC2 659/4885

“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.