SCHEMBL1282997

SCHEMBL1282997

CCN(C(N)=O)c1nc2cc(-c3cnc(N4CCC(C)(C(=O)O)CC4)nc3)cc(-c3nccc(OC)n3)c2s1

nearest known ligand 0.49

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 1/20 0.30
HCRTR1 O43613 1/20 0.30
HCRTR2 O43614 1/20 0.30

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
SCHEMBL1283085 0.91
SCHEMBL1282640 0.91 MEN1 (0.32)
SCHEMBL1283749 0.89 HASPIN (0.36) PTPN11
SCHEMBL1282931 0.89 PARP1 (0.35) PTPN11
SCHEMBL1282728 0.88 DGAT1 (0.31) PTPN11
SCHEMBL1282393 0.88 PARP1 (0.32) PTPN11
SCHEMBL1282848 0.87 DGAT1 (0.31)
SCHEMBL1283194 0.87 PRKCA (0.34) PTPN11
SCHEMBL1282809 0.87 FFAR4 (0.33)
SCHEMBL1282379 0.87

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-9181234-B2 Antibacterial compounds BIOTA EUROPE LTD. (GB) 2015-11-10 US claimed
US-20120088750-A1 ANTIBACTERIAL COMPOUNDS BIOTA EUROPE LTD. (GB) 2012-04-12 US claimed
US-20170007615-A1 Antibacterial Compounds SPERO GYRASE, INC. 2017-01-12 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 (2 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-20120088750-A1 ANTIBACTERIAL COMPOUNDS MRPL21, NISCH, LSS PTPN11 4067/4885HCRTR1 4748/4885HCRTR2 4815/4885
US-20170007615-A1 Antibacterial Compounds CLPP, MRPL21, RELA PTPN11 2315/4885HCRTR1 4711/4885HCRTR2 4681/4885

“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.