SCHEMBL6311709

SCHEMBL6311709

COc1ccc(C(=O)Nc2nc(C)c(C)s2)c(OC)c1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.78
NPC1 O15118 12/20 0.66
KLF5 Q13887 1/20 0.66
RAB9A P51151 11/20 0.62
SMN1; SMN2 Q16637 4/20 0.62
MAPT P10636 1/20 0.62
DCLK1 O15075 1/20 0.62
FES P07332 1/20 0.62
PIM1 P11309 1/20 0.62
CDK2 P24941 1/20 0.62
GSK3A P49840 1/20 0.62
GSK3B P49841 1/20 0.62
IRAK1 P51617 1/20 0.62
MAP4K2 Q12851 1/20 0.62
NTRK3 Q16288 1/20 0.62
HIPK4 Q8NE63 1/20 0.62
AURKB Q96GD4 1/20 0.62
CLK4 Q9HAZ1 1/20 0.62
STK17A Q9UEE5 1/20 0.62
MAP4K5 Q9Y4K4 1/20 0.62

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
SCHEMBL16073083 0.89 TP53 (0.62) TP53NPC1KLF5RAB9ASMN1; SMN2
SCHEMBL6318204 0.84 RAB9A (0.68) TP53NPC1KLF5RAB9ASMN1; SMN2
SCHEMBL6769684 0.80 NPC1 (1.00) TP53NPC1KLF5RAB9ASMN1; SMN2
SCHEMBL16073069 0.76 RAB9A (0.72) TP53NPC1KLF5RAB9ASMN1; SMN2
SCHEMBL6312067 0.76 NPC1 (0.68) TP53NPC1KLF5RAB9ASMN1; SMN2
SCHEMBL16073066 0.75 RAB9A (0.60) TP53NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL5835450 0.75 NPC1 (0.58) TP53NPC1KLF5RAB9ASMN1; SMN2
SCHEMBL16078325 0.75 MEN1 (0.62) TP53NPC1KLF5RAB9ASMN1; SMN2
SCHEMBL6310452 0.74 NPC1 (0.60) TP53NPC1KLF5RAB9ASMN1; SMN2
SCHEMBL17318607 0.74 APOBEC3G (0.66) TP53NPC1RAB9ASMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9604946-B2 Methods for modulating bacterial virulence and related compounds THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2017-03-28 US disclosed
US-20140275189-A1 Methods for Modulating Bacterial Virulence and Related Compounds THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2014-09-18 US disclosed
US-20050143581-A1 Process for preparation of alkoxybenzamides and thiazolyl isocyanates MITSUI CHEMICALS, INC. (JP) 2005-06-30 US disclosed
EP-1489073-A1 PROCESS FORPREPARATION OF ALKOXYBENZAMIDES AND THIAZOLYL ISOCYANATES MITSUI CHEMICALS, INC. (JP) 2004-12-22 EP 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-20140275189-A1 Methods for Modulating Bacterial Virulence and Related Compounds STAT1, MLEC, CGAS TP53 2788/4885NPC1 3763/4885KLF5 1137/4885
US-20050143581-A1 Process for preparation of alkoxybenzamides and thiazolyl isocyanates CBR3, CBR1, IDH1 TP53 3925/4885NPC1 3375/4885KLF5 2305/4885

“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.