SCHEMBL16073083

SCHEMBL16073083

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

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 5/20 0.62
NPC1 O15118 12/20 0.60
RAB9A P51151 12/20 0.60
MAPT P10636 5/20 0.60
SMN1; SMN2 Q16637 5/20 0.60
KMT2A Q03164 5/20 0.55
MEN1 O00255 4/20 0.55
RXFP1 Q9HBX9 2/20 0.55
PKM P14618 3/20 0.52
KLF5 Q13887 1/20 0.52
SCD O00767 1/20 0.51
ALDH1A1 P00352 3/20 0.51
NPSR1 Q6W5P4 3/20 0.51
DUSP3 P51452 1/20 0.51
THRB P10828 1/20 0.51
KDM4E B2RXH2 2/20 0.50
HPGD P15428 2/20 0.50
NFKB1 P19838 2/20 0.50
NFKB2 Q00653 2/20 0.50
RELA Q04206 2/20 0.50

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
SCHEMBL6311709 0.89 TP53 (0.78) TP53NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL16073066 0.84 RAB9A (0.60) TP53NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL24072273 0.80 TP53 (0.48) TP53NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL25142454 0.78 RAB9A (0.76) TP53NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL31665068 0.78 RAB9A (0.76) TP53NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL6318204 0.77 RAB9A (0.68) TP53NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL4937471 0.77 CASP3 (0.73) TP53NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL16073082 0.77 RAB9A (0.70) TP53NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL25142625 0.76 RAB9A (0.60) TP53NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL25063149 0.74 STAT3 (0.64) TP53NPC1RAB9AMAPTSMN1; SMN2

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 2 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 3763/4885RAB9A 1509/4885

“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.