SCHEMBL1282227

SCHEMBL1282227

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

nearest known ligand 0.75

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 7/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL10235367 0.91 ABL1 (0.37) ABL1NPC1RAB9ASMN1; SMN2
SCHEMBL17243951 0.91 ABL1 (0.37) ABL1NPC1RAB9ASMN1; SMN2
SCHEMBL1283072 0.90 ABL1 (0.35) ABL1
SCHEMBL1282424 0.89 ABL1 (0.37) ABL1NPC1RAB9ASMN1; SMN2
SCHEMBL1282858 0.88 ABL1 (0.39) ABL1
SCHEMBL1283712 0.87 AXL (0.36) ABL1NPC1RAB9ASMN1; SMN2
SCHEMBL1283238 0.86 ABL1 (0.35) ABL1NPC1RAB9ASMN1; SMN2
SCHEMBL1282831 0.86 ABL1 (0.35) ABL1
SCHEMBL15260105 0.86 MTOR (0.36) ABL1NPC1RAB9ASMN1; SMN2
SCHEMBL1282153 0.86 PIK3CD (0.41) ABL1NPC1RAB9ASMN1; SMN2

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 5 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-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 537/4885NPC1 1032/4885RAB9A 915/4885
US-20170007615-A1 Antibacterial Compounds CLPP, MRPL21, RELA ABL1 294/4885NPC1 1397/4885RAB9A 845/4885

“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.