SCHEMBL375575

SCHEMBL375575

COC(=O)c1sccc1OCCNC(=O)OC(C)(C)C

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.57
MEN1 O00255 1/20 0.54
CYP1A2 P05177 1/20 0.54
CA12 O43570 5/20 0.47
CA1 P00915 5/20 0.47
CA2 P00918 5/20 0.47
CA9 Q16790 5/20 0.47
SCN9A Q15858 1/20 0.41
IDO1 P14902 1/20 0.41
NPC1 O15118 1/20 0.40
PDK2 Q15119 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
HPGD P15428 1/20 0.39
DRD2 P14416 1/20 0.38
RAB9A P51151 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL375505 0.89 L3MBTL1 (0.50) KMT2AMEN1CYP1A2CA12CA1
SCHEMBL3908066 0.79 KMT2A (0.76) KMT2AMEN1CYP1A2NPC1L3MBTL1
SCHEMBL8236739 0.79 KMT2A (0.56) KMT2AMEN1CYP1A2NPC1L3MBTL1
SCHEMBL8194973 0.79 NPC1 (0.50) KMT2AMEN1NPC1L3MBTL1HPGD
SCHEMBL31078797 0.78 CA12 (0.43) CA12CA1CA2CA9SCN9A
SCHEMBL23142285 0.78 TDP1 (0.43) KMT2AMEN1CYP1A2CA12CA1
SCHEMBL375401 0.77 SCN9A (0.50) KMT2AMEN1CYP1A2CA12CA1
SCHEMBL20505231 0.77 KMT2A (0.77) KMT2AMEN1CYP1A2NPC1L3MBTL1
SCHEMBL25207844 0.77 LMNA (0.42) KMT2ACA12CA1CA2CA9
SCHEMBL3151989 0.77 CA12 (0.52) KMT2AMEN1CA12CA1CA2

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 9 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-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 KMT2A 4827/4885MEN1 3755/4885CYP1A2 3674/4885
US-20120010187-A1 BROAD SPECTRUM BENZOTHIOPHENE-NITROTHIAZOLIDE AND OTHER ANTIMICROBIALS NMT1, MLEC, EPN1 KMT2A 4279/4885MEN1 2908/4885CYP1A2 3975/4885

“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.