SCHEMBL1282533

SCHEMBL1282533

CCN(C(N)=O)c1nc2cc(-c3cnc(N4CCC(C)(C(=O)O)CC4)cn3)cc(-c3ccccn3)c2s1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.35
KCNH2 Q12809 1/20 0.35
HCRTR1 O43613 2/20 0.33
HCRTR2 O43614 2/20 0.33
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
PTPN11 Q06124 3/20 0.31
CNR1 P21554 2/20 0.31
RET P07949 1/20 0.31
KDM4E B2RXH2 2/20 0.30
USP2 O75604 2/20 0.30
ALDH1A1 P00352 2/20 0.30
HPGD P15428 2/20 0.30
HSD17B10 Q99714 2/20 0.30
MAPT P10636 1/20 0.30
ALOX15 P16050 1/20 0.30
CASP1 P29466 1/20 0.30
CASP7 P55210 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
SCHEMBL27932383 0.92 HCRTR1 (0.33) HCRTR1HCRTR2NPC1RAB9AMEN1
SCHEMBL1282501 0.91 KCNH2 (0.42) DGAT1KCNH2NPC1RAB9AMEN1
SCHEMBL1283255 0.89 OPRD1 (0.33) DGAT1KCNH2NPC1RAB9AMEN1
SCHEMBL1282676 0.89 DGAT1 (0.32) DGAT1KCNH2HCRTR1HCRTR2RET
SCHEMBL1282205 0.88 PTPN11 (0.33) DGAT1KCNH2PTPN11ALDH1A1
SCHEMBL1283306 0.86 METAP1 (0.30)
SCHEMBL1282190 0.86 AOC3 (0.32) DGAT1KCNH2HCRTR1HCRTR2PTPN11
SCHEMBL27914266 0.86 PDE10A (0.34) DGAT1KCNH2KDM4EALDH1A1HPGD
SCHEMBL1283092 0.86 PTPN11 (0.31) DGAT1KCNH2PTPN11
SCHEMBL27932381 0.85 GRM1 (0.31) DGAT1KCNH2

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 DGAT1 2241/4885KCNH2 2727/4885HCRTR1 4748/4885
US-20170007615-A1 Antibacterial Compounds CLPP, MRPL21, RELA DGAT1 596/4885KCNH2 4313/4885HCRTR1 4711/4885

“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.