SCHEMBL375797

SCHEMBL375797

CC(C)(C)OC(=O)NCCOc1ccsc1C(=O)Nc1ncc([N+](=O)[O-])s1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.47
RAB9A P51151 8/20 0.47
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
PKM P14618 5/20 0.47
ATG4B Q9Y4P1 6/20 0.46
STAT3 P40763 7/20 0.45
ALDH1A1 P00352 3/20 0.45
MAPT P10636 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
MLNR O43193 1/20 0.45
NR1I2 O75469 1/20 0.45
ABCB11 O95342 1/20 0.45
LMNA P02545 1/20 0.45
TP53 P04637 1/20 0.45
ADRB2 P07550 1/20 0.45
CHRM2 P08172 1/20 0.45
ADRB1 P08588 1/20 0.45
CYP3A4 P08684 1/20 0.45
ADRA2A P08913 1/20 0.45

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
SCHEMBL872527 0.87 NPC1 (0.52) NPC1RAB9AMEN1KMT2APKM
SCHEMBL376276 0.85 MEN1 (0.62) NPC1RAB9AMEN1KMT2APKM
SCHEMBL10211140 0.84 RAB9A (0.53) NPC1RAB9AMEN1KMT2APKM
Hydrochloric Acid SCHEMBL375506 0.81 NPC1 (0.55) NPC1RAB9AMEN1KMT2APKM
SCHEMBL375422 0.77 STAT3 (0.57) NPC1RAB9AMEN1KMT2APKM
SCHEMBL28523289 0.76 LMNA (0.65) NPC1RAB9AMEN1KMT2AATG4B
SCHEMBL375701 0.75 STAT3 (0.54) NPC1RAB9AMEN1KMT2APKM
SCHEMBL375505 0.75 L3MBTL1 (0.50) RAB9AMEN1KMT2ATDP1L3MBTL1
SCHEMBL19528450 0.75 MEN1 (0.58) NPC1RAB9AMEN1KMT2APKM
SCHEMBL375575 0.74 KMT2A (0.57) NPC1RAB9AMEN1KMT2ADRD2

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 NPC1 3027/4885RAB9A 1936/4885MEN1 3755/4885
US-20120010187-A1 BROAD SPECTRUM BENZOTHIOPHENE-NITROTHIAZOLIDE AND OTHER ANTIMICROBIALS NMT1, MLEC, EPN1 NPC1 3834/4885RAB9A 3418/4885MEN1 2908/4885

“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.