SCHEMBL1282433

SCHEMBL1282433

CCN(C(N)=O)c1nc2cc(-c3cnc(N4CCC(C)(C(=O)O)CC4)nc3)c(OC)cc2s1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ PTPN11 Q06124 2/20 0.35
▸ POLB P06746 1/20 0.34
▸ RAD52 P43351 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ DGAT1 O75907 1/20 0.32
▸ KCNH2 Q12809 1/20 0.32
▸ KIT P10721 1/20 0.32
▸ STING1 Q86WV6 2/20 0.32
▸ SSTR5 P35346 1/20 0.31
▸ ABL1 P00519 1/20 0.31
▸ RIN1 Q13671 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ OPRM1 P35372 1/20 0.31
▸ OPRD1 P41143 1/20 0.31
▸ OPRK1 P41145 1/20 0.31

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
SCHEMBL1282403 0.85 PTPN11 (0.36) PTPN11MAPTDGAT1KCNH2KIT
SCHEMBL1282959 0.84 PTPN11 (0.31) PTPN11
SCHEMBL1282894 0.80 PTPN11 (0.35) PTPN11MAPT
SCHEMBL1283397 0.80 PTPN11 (0.33) KMT2AMEN1PTPN11KITSSTR5
SCHEMBL1282931 0.79 PARP1 (0.35) KMT2AMEN1PTPN11
SCHEMBL1282202 0.79 DGAT1 (0.33) DGAT1KCNH2
SCHEMBL1282435 0.79 ABL1 (0.51) ABL1
SCHEMBL1282442 0.79 DGAT1 (0.30) PTPN11DGAT1KCNH2
SCHEMBL1282345 0.79 MEN1 (0.34) KMT2AMEN1POLBMAPTDGAT1
SCHEMBL1283194 0.79 PRKCA (0.34) PTPN11SSTR5

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
EP-2625178-A1 BACTERIA TOPOISOMERASE II INHIBITING 2-ETHYLCARBAMOYLAMINO-1, 3-BENZOTHIAZOL-5-YLS Biota Europe Ltd (GB) 2013-08-14 — — EP claimed
US-20120088750-A1 ANTIBACTERIAL COMPOUNDS BIOTA EUROPE LTD. (GB) 2012-04-12 — — US claimed
WO-2012045124-A1 BACTERIA TOPOISOMERASE II INHIBITING 2-ETHYLCARBAMOYLAMINO-1, 3-BENZOTHIAZOL-5-YLS BIOTA EUROPE LTD (GB) 2012-04-12 — — WO 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 KMT2A 4333/4885MEN1 3233/4885PTPN11 4067/4885
US-20170007615-A1 Antibacterial Compounds CLPP, MRPL21, RELA KMT2A 4497/4885MEN1 4761/4885PTPN11 2315/4885

“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.

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