SCHEMBL375490

SCHEMBL375490

O=C(O)CCCC(=O)Nc1ncc([N+](=O)[O-])s1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.76
MEN1 O00255 8/20 0.67
KMT2A Q03164 8/20 0.67
RAB9A P51151 7/20 0.67
MAPT P10636 6/20 0.67
NPC1 O15118 5/20 0.67
HTT P42858 4/20 0.67
ALDH1A1 P00352 4/20 0.57
SMN1; SMN2 Q16637 4/20 0.57
ALPL P05186 2/20 0.57
NSD2 O96028 1/20 0.57
ALPI P09923 1/20 0.57
ALPG P10696 1/20 0.57
CASP7 P55210 1/20 0.57
CASP6 P55212 1/20 0.57
CASP8 Q14790 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
ATG4B Q9Y4P1 6/20 0.56

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
SCHEMBL881339 0.94 LMNA (0.84) LMNAMEN1KMT2ARAB9AMAPT
SCHEMBL10253068 0.87 LMNA (0.77) LMNAMEN1KMT2ARAB9AMAPT
SCHEMBL1395039 0.86 LMNA (1.00) LMNAMEN1KMT2ARAB9AMAPT
Hydrochloric Acid SCHEMBL28533675 0.85 LMNA (0.74) LMNAMEN1KMT2ARAB9AMAPT
SCHEMBL8236728 0.85 LMNA (0.74) LMNAMEN1KMT2ARAB9AMAPT
SCHEMBL1392634 0.85 LMNA (0.92) LMNAMEN1KMT2ARAB9AMAPT
SCHEMBL4884971 0.84 LMNA (0.90) LMNAMEN1KMT2ARAB9AMAPT
SCHEMBL5836289 0.83 LMNA (0.85) LMNAMEN1KMT2ARAB9AMAPT
SCHEMBL14906480 0.82 LMNA (0.74) LMNAMEN1KMT2ARAB9AMAPT
SCHEMBL18529266 0.81 RAB9A (1.00) LMNAMEN1KMT2ARAB9AMAPT

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 LMNA 2498/4885MEN1 3755/4885KMT2A 4827/4885
US-20120010187-A1 BROAD SPECTRUM BENZOTHIOPHENE-NITROTHIAZOLIDE AND OTHER ANTIMICROBIALS NMT1, MLEC, EPN1 LMNA 3713/4885MEN1 2908/4885KMT2A 4279/4885

“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.