SCHEMBL9964911

SCHEMBL9964911

CC(=O)NC[C@@H]1OC(=O)N2c3ccc(C4=CCNCC4)cc3C[C@@H]12

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.44
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
CYP2C19 P33261 1/20 0.41
BRD4 O60885 2/20 0.39
TAF1 P21675 1/20 0.39
BRD2 P25440 1/20 0.39
BRPF1 P55201 1/20 0.39
BRD3 Q15059 1/20 0.39
BRDT Q58F21 1/20 0.39
BRWD1 Q9NSI6 1/20 0.39
CSF1R P07333 1/20 0.38
F10 P00742 9/20 0.36
PRMT5 O14744 1/20 0.36
WDR77 Q9BQA1 1/20 0.36
QDPR P09417 3/20 0.35
NAMPT P43490 1/20 0.35
TBK1 Q9UHD2 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
Trifluoroacetic Acid SCHEMBL9930330 0.94 KCNH2 (0.41) KCNH2MAOAMAOBCYP2C19BRD4
SCHEMBL9964815 0.85 KCNH2 (0.46) KCNH2MAOAMAOBCYP2C19F10
SCHEMBL4555076 0.84 MAOA (0.47) KCNH2MAOAMAOBCYP2C19F10
SCHEMBL9930331 0.84 F10 (0.34) KCNH2MAOAMAOBCYP2C19BRD4
SCHEMBL9929840 0.83 MAOA (0.46) KCNH2MAOAMAOBCYP2C19F10
SCHEMBL9930084 0.82 KCNH2 (0.43) KCNH2MAOAMAOBCYP2C19F10
SCHEMBL9930383 0.81 KCNH2 (0.42) KCNH2MAOAMAOBCYP2C19F10
SCHEMBL9964912 0.81 KCNH2 (0.42) KCNH2MAOAMAOBCYP2C19F10
SCHEMBL9090265 0.80 KCNH2 (0.53) KCNH2MAOAMAOBCYP2C19F10
SCHEMBL9092477 0.80 KCNH2 (0.53) 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 2 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

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 1295/4885MAOA 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.