SCHEMBL1282552

SCHEMBL1282552

CCN(C(N)=O)c1nc2cc(-c3cnc(N4CCC(C)(C(=O)O)CC4)nc3)cc(-c3cc(C)ccn3)c2s1

nearest known ligand 0.57

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.32
KCNH2 Q12809 1/20 0.32

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
SCHEMBL1282656 0.93 DGAT1 (0.32) DGAT1KCNH2
SCHEMBL1283074 0.92 DGAT1 (0.32) DGAT1KCNH2
SCHEMBL1282393 0.92 PARP1 (0.32) DGAT1KCNH2
SCHEMBL1282205 0.91 PTPN11 (0.33) DGAT1KCNH2
SCHEMBL1282421 0.91 DGAT1 (0.35) DGAT1KCNH2
SCHEMBL15260101 0.91 DGAT1 (0.30) DGAT1KCNH2
SCHEMBL15259979 0.91 DGAT1 (0.30) DGAT1KCNH2
SCHEMBL1283579 0.90 DGAT1 (0.31) DGAT1KCNH2
SCHEMBL1282860 0.90 DGAT1 (0.30) DGAT1KCNH2
SCHEMBL1282904 0.90 DGAT1 (0.33) 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 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 DGAT1 2241/4885KCNH2 2727/4885
US-20170007615-A1 Antibacterial Compounds CLPP, MRPL21, RELA DGAT1 596/4885KCNH2 4313/4885

“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.