SCHEMBL1282858

SCHEMBL1282858

CCNC(=O)Nc1nc2cc(-c3cnc(N4CCC(C)(C(=O)O)CC4)nc3)cc(-c3ccc(CN4CCOCC4)cn3)c2s1

nearest known ligand 0.73

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 3/20 0.39
HCAR1 Q9BXC0 2/20 0.37
HCAR2 Q8TDS4 1/20 0.36
GHSR Q92847 1/20 0.36
MTOR P42345 2/20 0.36
PIK3CA P42336 1/20 0.36
PIK3CG P48736 1/20 0.36

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
SCHEMBL1283712 0.93 AXL (0.36) ABL1
SCHEMBL10235367 0.90 ABL1 (0.37) ABL1
SCHEMBL17243951 0.90 ABL1 (0.37) ABL1
SCHEMBL1282227 0.88 ABL1 (0.36) ABL1
SCHEMBL1282424 0.88 ABL1 (0.37) ABL1PIK3CA
SCHEMBL1282636 0.87 CNR2 (0.41) ABL1MTORPIK3CAPIK3CG
SCHEMBL15260105 0.85 MTOR (0.36) ABL1MTOR
SCHEMBL1283072 0.85 ABL1 (0.35) ABL1
SCHEMBL1282153 0.85 PIK3CD (0.41) ABL1
SCHEMBL15260112 0.85 MTOR (0.43) ABL1HCAR1MTORPIK3CA

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 7 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
US-9181234-B2 Antibacterial compounds BIOTA EUROPE LTD. (GB) 2015-11-10 US disclosed
US-9181234-B2 Antibacterial compounds BIOTA EUROPE LTD. (GB) 2015-11-10 US disclosed
US-20120088750-A1 ANTIBACTERIAL COMPOUNDS BIOTA EUROPE LTD. (GB) 2012-04-12 US disclosed
US-20120088750-A1 ANTIBACTERIAL COMPOUNDS BIOTA EUROPE LTD. (GB) 2012-04-12 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 ABL1 537/4885HCAR1 4474/4885HCAR2 4572/4885
US-20170007615-A1 Antibacterial Compounds CLPP, MRPL21, RELA ABL1 294/4885HCAR1 3389/4885HCAR2 3547/4885

“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.