SCHEMBL9930581

SCHEMBL9930581

CC(=O)NC[C@@H]1OC(=O)N2c3ccc(C4=CCN(C(=O)OC(C)(C)C)CC4)cc3C[C@@H]12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.44
PRMT5 O14744 2/20 0.44
WDR77 Q9BQA1 2/20 0.44
F10 P00742 1/20 0.42
KCNH2 Q12809 1/20 0.41
BRD4 O60885 1/20 0.39
CDK7 P50613 1/20 0.39
CDK13 Q14004 1/20 0.39
CDK12 Q9NYV4 1/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
CYP2C19 P33261 1/20 0.39
PDK4 Q16654 1/20 0.39
LIPC P11150 1/20 0.39
LIPG Q9Y5X9 1/20 0.39
CDK9 P50750 3/20 0.39
TBK1 Q9UHD2 1/20 0.38
CYP11B2 P19099 1/20 0.38
WNT3A P56704 1/20 0.38
KIT P10721 1/20 0.37

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
SCHEMBL9930383 0.88 KCNH2 (0.42) NAMPTPRMT5WDR77F10KCNH2
SCHEMBL9964912 0.88 KCNH2 (0.42) NAMPTF10KCNH2MAOAMAOB
SCHEMBL9929959 0.87 KCNH2 (0.40) NAMPTF10KCNH2MAOAMAOB
SCHEMBL9964815 0.81 KCNH2 (0.46) PRMT5WDR77F10KCNH2MAOA
SCHEMBL9964911 0.79 KCNH2 (0.44) NAMPTPRMT5WDR77F10KCNH2
SCHEMBL4555076 0.79 MAOA (0.47) F10KCNH2MAOAMAOBCYP2C19
SCHEMBL9929840 0.78 MAOA (0.46) F10KCNH2MAOAMAOBCYP2C19
SCHEMBL14069386 0.78 MAOB (0.47) KCNH2MAOAMAOBCYP2C19CDK9
SCHEMBL9930226 0.78 MAOB (0.47) KCNH2MAOAMAOBCYP2C19CDK9
SCHEMBL9930084 0.78 KCNH2 (0.43) F10KCNH2MAOAMAOBCYP2C19

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 NAMPT 252/4885PRMT5 4514/4885WDR77 4270/4885

“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.