SCHEMBL1283749

SCHEMBL1283749

CCN(C(N)=O)c1nc2cc(-c3cnc(N4CCC(C)(C(=O)O)CC4)nc3)cc(-c3cccc(OC)n3)c2s1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HASPIN Q8TF76 1/20 0.36
TGFBR1 P36897 2/20 0.33
PARP1 P09874 1/20 0.32
ALOX5AP P20292 1/20 0.32
TGFBR2 P37173 1/20 0.31
AOC3 Q16853 3/20 0.31
DGAT1 O75907 1/20 0.31
KCNH2 Q12809 1/20 0.31
PTPN11 Q06124 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
SCHEMBL1282379 0.91
SCHEMBL1282809 0.91 FFAR4 (0.33)
SCHEMBL1282848 0.90 DGAT1 (0.31) DGAT1KCNH2
SCHEMBL1282728 0.90 DGAT1 (0.31) DGAT1KCNH2PTPN11
SCHEMBL1282997 0.89 PTPN11 (0.30) PTPN11
SCHEMBL1282205 0.89 PTPN11 (0.33) AOC3DGAT1KCNH2PTPN11
SCHEMBL1282393 0.88 PARP1 (0.32) PARP1DGAT1KCNH2PTPN11
SCHEMBL1282428 0.87
SCHEMBL1283074 0.86 DGAT1 (0.32) DGAT1KCNH2
SCHEMBL1282012 0.86 OGA (0.34)

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 HASPIN 3245/4885TGFBR1 4119/4885PARP1 3901/4885
US-20170007615-A1 Antibacterial Compounds CLPP, MRPL21, RELA HASPIN 2016/4885TGFBR1 4097/4885PARP1 1430/4885

“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.