SCHEMBL1282345

SCHEMBL1282345

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

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.34
KMT2A Q03164 5/20 0.34
POLB P06746 2/20 0.33
TP53 P04637 1/20 0.33
DGAT1 O75907 1/20 0.32
KCNH2 Q12809 1/20 0.32
LMNA P02545 1/20 0.32
AOC3 Q16853 3/20 0.31
KDM4E B2RXH2 1/20 0.30
MAPT P10636 1/20 0.30
HTT P42858 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
RAB9A P51151 1/20 0.30
GPR55 Q9Y2T6 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
SCHEMBL1282202 0.92 DGAT1 (0.33) DGAT1KCNH2AOC3
SCHEMBL1282403 0.89 PTPN11 (0.36) DGAT1KCNH2AOC3MAPT
SCHEMBL1283705 0.89 MEN1 (0.32) MEN1KMT2ADGAT1KCNH2
SCHEMBL1282268 0.89 DGAT1 (0.31) DGAT1KCNH2
SCHEMBL1282904 0.88 DGAT1 (0.33) DGAT1KCNH2
SCHEMBL1282649 0.88 AOC3 (0.31) DGAT1KCNH2AOC3
SCHEMBL1282442 0.88 DGAT1 (0.30) DGAT1KCNH2
SCHEMBL17233339 0.88
SCHEMBL1282413 0.88 GRM2 (0.31)
SCHEMBL1283840 0.87 CNR1 (0.33) DGAT1KCNH2AOC3

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 7 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
EP-3102203-A2 ANTIBACTERIAL COMBINATIONS COMPRISING POLYMYXIN SPERO GYRASE, INC. (US) 2016-12-14 EP disclosed
US-9181234-B2 Antibacterial compounds BIOTA EUROPE LTD. (GB) 2015-11-10 US disclosed
WO-2015114452-A2 ANTIBACTERIAL COMPOUNDS BIOTA EUROPE LTD (GB) 2015-08-06 WO 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 MEN1 3233/4885KMT2A 4333/4885POLB 815/4885
US-20170007615-A1 Antibacterial Compounds CLPP, MRPL21, RELA MEN1 4761/4885KMT2A 4497/4885POLB 247/4885

“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.