SCHEMBL4436087

SCHEMBL4436087

N#C[C@H](O)C1Cc2ccccc2N1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.43
ACE P12821 3/20 0.40

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
SCHEMBL4436088 1.00 NOTUM (0.43) NOTUMACE
SCHEMBL9964901 0.81 NPC1 (0.47) ACE
SCHEMBL9092066 0.81 NPC1 (0.47) ACE
SCHEMBL4435942 0.78 NOTUM (0.40) NOTUMACE
SCHEMBL9930255 0.77 NOTUM (0.43) NOTUMACE
SCHEMBL4430169 0.74 NOTUM (0.43) NOTUMACE
SCHEMBL28221747 0.73 NOTUM (0.51) NOTUMACE
SCHEMBL4430164 0.72 MTNR1A (0.46) NOTUMACE
SCHEMBL23113116 0.70 NOTUM (0.51) NOTUMACE
SCHEMBL8633111 0.70 ACE (0.61) ACE

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 3 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
EP-2134721-A1 ANTIMICROBIAL HETEROCYCLIC COMPOUNDS FOR TREATMENT OF BACTERIAL INFECTIONS Micurx Pharmaceuticals, Inc. (US) 2009-12-23 EP disclosed
WO-2008108988-A1 ANTIMICROBIAL HETEROCYCLIC COMPOUNDS FOR TREATMENT OF BACTERIAL INFECTIONS MICURX PHARMACEUTICALS, INC. (US) 2008-09-12 WO 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 NOTUM 2955/4885ACE 221/4885

“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.