SCHEMBL375422

SCHEMBL375422

CC(C)(C)OC(=O)NCCOC(=O)COc1ccccc1C(=O)Nc1ncc([N+](=O)[O-])s1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 5/20 0.57
MEN1 O00255 5/20 0.57
NPC1 O15118 5/20 0.57
RAB9A P51151 5/20 0.57
KMT2A Q03164 5/20 0.57
PKM P14618 3/20 0.57
ALDH1A1 P00352 2/20 0.57
LMNA P02545 2/20 0.57
MAPT P10636 2/20 0.57
HTT P42858 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
MLNR O43193 1/20 0.57
NR1I2 O75469 1/20 0.57
ABCB11 O95342 1/20 0.57
TP53 P04637 1/20 0.57
ADRB2 P07550 1/20 0.57
CHRM2 P08172 1/20 0.57
ADRB1 P08588 1/20 0.57
CYP3A4 P08684 1/20 0.57
ADRA2A P08913 1/20 0.57

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
SCHEMBL376276 0.92 MEN1 (0.62) STAT3MEN1NPC1RAB9AKMT2A
SCHEMBL376119 0.88 MEN1 (0.67) STAT3MEN1NPC1RAB9AKMT2A
SCHEMBL10286970 0.85 STAT3 (0.61) STAT3MEN1NPC1RAB9AKMT2A
SCHEMBL10253193 0.85 MEN1 (0.66) STAT3MEN1NPC1RAB9AKMT2A
SCHEMBL881349 0.83 NPC1 (0.63) STAT3MEN1NPC1RAB9AKMT2A
SCHEMBL19528450 0.83 MEN1 (0.58) STAT3MEN1NPC1RAB9AKMT2A
Hydrochloric Acid SCHEMBL375764 0.83 NPC1 (0.62) STAT3MEN1NPC1RAB9AKMT2A
SCHEMBL375701 0.80 STAT3 (0.54) STAT3MEN1NPC1RAB9AKMT2A
SCHEMBL2856743 0.79 NPC1 (0.77) STAT3MEN1NPC1RAB9AKMT2A
SCHEMBL375723 0.78 MEN1 (0.71) STAT3MEN1NPC1RAB9AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2632460-B1 THIOPHENE DERIVATIVES FOR USE IN THE TREATMENT OF TUBERCULOSIS UNIV VIRGINIA PATENT FOUNDATION (US) 2018-02-28 EP disclosed
US-9376430-B2 Broad spectrum benzothiophene-nitrothiazolide and other antimicrobials UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2016-06-28 US disclosed
US-9333193-B2 Compositions and methods for treating tuberculosis UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2016-05-10 US disclosed
EP-2408770-B1 BROAD SPECTRUM BENZOTHIOPHENE-NITROTHIAZOLIDE AND OTHER ANTIMICROBIALS Univ Virginia Patent Found (US) 2014-11-05 EP disclosed
US-8835644-B2 Broad spectrum benzothiophene-nitrothiazolide and other antimicrobials UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2014-09-16 US disclosed
US-20130317070-A1 COMPOSITIONS AND METHODS FOR TREATING TUBERCULOSIS University of Virginia Patent Foundation d/b/a University of Virginia Licensing & Ventures Group (US) 2013-11-28 US disclosed
EP-2632460-A2 COMPOSITIONS AND METHODS FOR TREATING TUBERCULOSIS University Of Virginia Patent Foundation (US) 2013-09-04 EP disclosed
WO-2012040170-A2 COMPOSITIONS AND METHODS FOR TREATING TUBERCULOSIS UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2012-03-29 WO disclosed
EP-2408770-A2 BROAD SPECTRUM BENZOTHIOPHENE-NITROTHIAZOLIDE AND OTHER ANTIMICROBIALS University Of Virginia Patent Foundation (US) 2012-01-25 EP disclosed
US-20120010187-A1 BROAD SPECTRUM BENZOTHIOPHENE-NITROTHIAZOLIDE AND OTHER ANTIMICROBIALS UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2012-01-12 US disclosed
WO-2010107736-A2 BROAD SPECTRUM BENZOTHIOPHENE-NITROTHIAZOLIDE AND OTHER ANTIMICROBIALS UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2010-09-23 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 (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-20130317070-A1 COMPOSITIONS AND METHODS FOR TREATING TUBERCULOSIS NRDC, TST, TBCD STAT3 4132/4885MEN1 3755/4885NPC1 3027/4885
US-20120010187-A1 BROAD SPECTRUM BENZOTHIOPHENE-NITROTHIAZOLIDE AND OTHER ANTIMICROBIALS NMT1, MLEC, EPN1 STAT3 2081/4885MEN1 2908/4885NPC1 3834/4885

“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.