SCHEMBL1283078

SCHEMBL1283078

CCN(C(N)=O)c1nc2cc(-c3cnc(C(=O)N4CCC(C)(C(=O)O)CC4)nc3)cc(-c3ccccn3)c2s1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.32
ABL1 P00519 1/20 0.31
BCR P11274 1/20 0.31
CYP2C9 P11712 1/20 0.31
GRM5 P41594 1/20 0.31
ADORA3 P0DMS8 1/20 0.30
ADORA2B P29275 1/20 0.30
KDM4E B2RXH2 1/20 0.30
USP2 O75604 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
ALOX15 P16050 1/20 0.30
CASP1 P29466 1/20 0.30
CASP7 P55210 1/20 0.30
HSD17B10 Q99714 1/20 0.30
MEN1 O00255 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
KMT2A Q03164 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
SCHEMBL1282205 0.90 PTPN11 (0.33) ALDH1A1
SCHEMBL1282190 0.87 AOC3 (0.32)
SCHEMBL1282501 0.87 KCNH2 (0.42) KDM4EUSP2ALDH1A1HPGDHSD17B10
SCHEMBL1283092 0.87 PTPN11 (0.31)
SCHEMBL27914266 0.86 PDE10A (0.34) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL27932381 0.85 GRM1 (0.31)
SCHEMBL1283306 0.85 METAP1 (0.30)
SCHEMBL1283255 0.85 OPRD1 (0.33) KDM4EUSP2ALDH1A1MAPTHPGD
SCHEMBL1282676 0.84 DGAT1 (0.32)
SCHEMBL1282533 0.84 DGAT1 (0.35) KDM4EUSP2ALDH1A1MAPTHPGD

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 4 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
CN-103249732-A Bacteria topoisomerase II inhibiting 2-thylcarbamoylamino-1, 3-benzothiazol-5-yls BIOTA EUROPE LTD 2013-08-14 CN 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 CHRM2 4865/4885ABL1 537/4885BCR 2195/4885
US-20170007615-A1 Antibacterial Compounds CLPP, MRPL21, RELA CHRM2 4867/4885ABL1 294/4885BCR 811/4885

“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.