SCHEMBL375846

SCHEMBL375846

O=C(Nc1ncc([N+](=O)[O-])s1)c1ccc(-c2ccccc2C(F)(F)F)o1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 8/20 0.57
ALDH1A1 P00352 5/20 0.57
POLB P06746 4/20 0.57
GAA P10253 2/20 0.57
NPC1 O15118 6/20 0.55
RAB9A P51151 6/20 0.55
PKM P14618 2/20 0.55
STAT3 P40763 2/20 0.55
MEN1 O00255 7/20 0.54
KMT2A Q03164 7/20 0.54
MGAM O43451 1/20 0.54
SI P14410 1/20 0.54
MGAM2 Q2M2H8 1/20 0.54
MAPT P10636 6/20 0.52
TDP1 Q9NUW8 3/20 0.52
SMN1; SMN2 Q16637 3/20 0.51
HPGD P15428 2/20 0.50
HTT P42858 2/20 0.50
ATG4B Q9Y4P1 1/20 0.50
NPSR1 Q6W5P4 1/20 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
SCHEMBL10253125 0.85 NPC1 (0.58) LMNAALDH1A1POLBGAANPC1
SCHEMBL10286971 0.82 LMNA (0.59) LMNAALDH1A1POLBGAANPC1
SCHEMBL27135379 0.80 STAT3 (0.70) LMNAALDH1A1POLBNPC1RAB9A
SCHEMBL16085391 0.78 MEN1 (0.71) LMNAALDH1A1POLBGAANPC1
SCHEMBL881750 0.78 NPC1 (0.64) LMNAALDH1A1POLBGAANPC1
SCHEMBL881751 0.75 L3MBTL1 (0.69) LMNAALDH1A1POLBGAANPC1
SCHEMBL5835048 0.74 MEN1 (0.64) LMNAALDH1A1POLBGAANPC1
SCHEMBL28573896 0.72 STAT3 (1.00) LMNAALDH1A1POLBNPC1RAB9A
SCHEMBL1804666 0.71 NPC1 (0.76) LMNAALDH1A1POLBNPC1RAB9A
SCHEMBL375845 0.71 EIF4E (0.39) LMNAALDH1A1POLBGAANPC1

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 16 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-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
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
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-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
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
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
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 LMNA 2498/4885ALDH1A1 3749/4885POLB 335/4885
US-20120010187-A1 BROAD SPECTRUM BENZOTHIOPHENE-NITROTHIAZOLIDE AND OTHER ANTIMICROBIALS NMT1, MLEC, EPN1 LMNA 3713/4885ALDH1A1 4060/4885POLB 2331/4885

“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.