SCHEMBL1282877

SCHEMBL1282877

CCNC(=O)Nc1nc2ccc(OC)cc2s1

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 5/20 0.83
PIK3CA P42336 1/20 0.71
PIK3CG P48736 1/20 0.71
NPC1 O15118 9/20 0.70
RAB9A P51151 9/20 0.70
SMN1; SMN2 Q16637 5/20 0.70
CYP1A2 P05177 1/20 0.70
CYP3A4 P08684 1/20 0.70
CYP2C19 P33261 1/20 0.70
HTT P42858 1/20 0.70
DYRK1A Q13627 1/20 0.70
TSHR P16473 2/20 0.70
MEN1 O00255 3/20 0.69
KMT2A Q03164 3/20 0.69
MAPT P10636 2/20 0.69
LMNA P02545 1/20 0.69
POLB P06746 1/20 0.69
NFKB1 P19838 1/20 0.69
NFKB2 Q00653 1/20 0.69
RELA Q04206 1/20 0.69

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
SCHEMBL2759558 0.90 RAB9A (0.71) ABL1NPC1RAB9ASMN1; SMN2CYP1A2
SCHEMBL2820972 0.88 RAB9A (0.69) ABL1NPC1RAB9ASMN1; SMN2CYP1A2
SCHEMBL2732073 0.87 RAB9A (0.66) ABL1NPC1RAB9ASMN1; SMN2CYP1A2
SCHEMBL2792432 0.86 ABL1 (0.64) ABL1NPC1RAB9ASMN1; SMN2CYP1A2
Potassium Ion SCHEMBL2790234 0.86 ABL1 (0.66) ABL1PIK3CAPIK3CGNPC1RAB9A
SCHEMBL6068271 0.85 ABL1 (0.65) ABL1PIK3CAPIK3CGNPC1RAB9A
SCHEMBL6067997 0.83 DYRK1A (0.71) ABL1PIK3CAPIK3CGNPC1RAB9A
SCHEMBL14189671 0.83 ABL1 (0.70) ABL1PIK3CAPIK3CGNPC1RAB9A
SCHEMBL4918595 0.83 NPC1 (1.00) PIK3CAPIK3CGNPC1RAB9ASMN1; SMN2
SCHEMBL2733651 0.82 RAB9A (0.70) NPC1RAB9ASMN1; SMN2CYP1A2CYP3A4

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170260178-A1 ANTIBACTERIAL COMPOUNDS SPERO GYRASE INC (US) 2017-09-14 US disclosed
US-9181234-B2 Antibacterial compounds BIOTA EUROPE LTD. (GB) 2015-11-10 US disclosed
US-9181234-B2 Antibacterial compounds BIOTA EUROPE LTD. (GB) 2015-11-10 US disclosed
US-9181234-B2 Antibacterial compounds BIOTA EUROPE LTD. (GB) 2015-11-10 US disclosed
EP-2625178-A1 BACTERIA TOPOISOMERASE II INHIBITING 2-ETHYLCARBAMOYLAMINO-1, 3-BENZOTHIAZOL-5-YLS Biota Europe Ltd (GB) 2013-08-14 EP disclosed
US-20120088750-A1 ANTIBACTERIAL COMPOUNDS BIOTA EUROPE LTD. (GB) 2012-04-12 US disclosed
US-20120088750-A1 ANTIBACTERIAL COMPOUNDS BIOTA EUROPE LTD. (GB) 2012-04-12 US disclosed
US-20120088750-A1 ANTIBACTERIAL COMPOUNDS BIOTA EUROPE LTD. (GB) 2012-04-12 US disclosed
WO-2012045124-A1 BACTERIA TOPOISOMERASE II INHIBITING 2-ETHYLCARBAMOYLAMINO-1, 3-BENZOTHIAZOL-5-YLS BIOTA EUROPE LTD (GB) 2012-04-12 WO disclosed
WO-2012045124-A1 BACTERIA TOPOISOMERASE II INHIBITING 2-ETHYLCARBAMOYLAMINO-1, 3-BENZOTHIAZOL-5-YLS BIOTA EUROPE LTD (GB) 2012-04-12 WO disclosed
US-20070213330-A1 Anticancer agents; antiproliferative agents METHYLGENE INC. (CA) 2007-09-13 US disclosed
WO-2005092899-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2005-10-06 WO 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 (3 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-20170260178-A1 ANTIBACTERIAL COMPOUNDS STS, PGLS, PEPD ABL1 1389/4885PIK3CA 204/4885PIK3CG 282/4885
US-20120088750-A1 ANTIBACTERIAL COMPOUNDS MRPL21, NISCH, LSS ABL1 537/4885PIK3CA 1700/4885PIK3CG 1394/4885
US-20070213330-A1 Anticancer agents; antiproliferative agents HDAC1, HDAC11, HDAC5 ABL1 1137/4885PIK3CA 1548/4885PIK3CG 1874/4885

“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.