SCHEMBL426591

SCHEMBL426591

COCc1cc(C)nc2sc(C(=O)Nc3ccc(C)c(Cl)c3)c(N)c12

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.76
MAPT P10636 5/20 0.73
THRB P10828 1/20 0.73
SMN1; SMN2 Q16637 1/20 0.73
NPC1 O15118 4/20 0.72
MEN1 O00255 3/20 0.72
KMT2A Q03164 3/20 0.72
L3MBTL1 Q9Y468 4/20 0.69
TP53 P04637 1/20 0.65
RXFP1 Q9HBX9 1/20 0.64
POLB P06746 3/20 0.63
KDM4E B2RXH2 3/20 0.62
GAA P10253 1/20 0.62
ALOX15 P16050 1/20 0.62
CASP1 P29466 1/20 0.62
CASP7 P55210 1/20 0.62
HSD17B10 Q99714 1/20 0.62
CDK8 P49336 1/20 0.61
CDK19 Q9BWU1 1/20 0.61
ALDH1A1 P00352 1/20 0.59

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
SCHEMBL428904 0.91 RAB9A (0.73) RAB9AMAPTTHRBSMN1; SMN2NPC1
SCHEMBL427966 0.89 RAB9A (0.83) RAB9AMAPTTHRBSMN1; SMN2NPC1
SCHEMBL432091 0.87 RAB9A (0.81) RAB9AMAPTTHRBSMN1; SMN2NPC1
SCHEMBL16384066 0.86 MAPT (0.85) RAB9AMAPTTHRBSMN1; SMN2NPC1
SCHEMBL13186368 0.86 RAB9A (0.60) RAB9AMAPTTHRBSMN1; SMN2NPC1
SCHEMBL424901 0.86 RAB9A (0.69) RAB9AMAPTTHRBSMN1; SMN2NPC1
SCHEMBL426701 0.85 RAB9A (0.83) RAB9AMAPTTHRBSMN1; SMN2NPC1
SCHEMBL426333 0.85 MAPT (0.85) RAB9AMAPTTHRBSMN1; SMN2NPC1
SCHEMBL427366 0.85 L3MBTL1 (0.84) RAB9AMAPTTHRBSMN1; SMN2NPC1
SCHEMBL427434 0.85 MAPT (1.00) RAB9AMAPTTHRBSMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3181568-A1 THIENOPYRIDINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF DENGUE VIRUS INFECTIONS Siga Technologies, Inc. (US) 2017-06-21 EP disclosed
US-20170121344-A1 THIENOPYRIDINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF DENGUE VIRUS INFECTIONS SIGA TECHNOLOGIES, INC. (US) 2017-05-04 US disclosed
US-20170121344-A1 THIENOPYRIDINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF DENGUE VIRUS INFECTIONS SIGA TECHNOLOGIES, INC. (US) 2017-05-04 US disclosed
EP-2400845-B1 THIENOPYRIDINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF DENGUE VIRUS INFECTIONS SIGA TECH INC (US) 2017-02-22 EP disclosed
US-9301949-B2 Thienopyridine derivatives for the treatment and prevention of dengue virus infections SIGA TECHNOLOGIES, INC. (US) 2016-04-05 US disclosed
US-9301949-B2 Thienopyridine derivatives for the treatment and prevention of dengue virus infections SIGA TECHNOLOGIES, INC. (US) 2016-04-05 US disclosed
WO-2014089378-A1 THIENOPYRIDINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF DENGUE VIRUS INFECTIONS SIGA TECHNOLOGIES, INC. (US) 2014-06-12 WO disclosed
US-20130129677-A1 Thienopyridine Derivatives for the Treatment and Prevention of Dengue Virus Infections SIGA TECHNOLOGIES, INC. (US) 2013-05-23 US disclosed
US-20130129677-A1 Thienopyridine Derivatives for the Treatment and Prevention of Dengue Virus Infections SIGA TECHNOLOGIES, INC. (US) 2013-05-23 US disclosed
US-20120022046-A1 Thienopyridine Derivatives for the Treatment and Prevention of Dengue Virus Infections SIGA TECHNOLOGIES, INC. 2012-01-26 US disclosed
US-20120022046-A1 Thienopyridine Derivatives for the Treatment and Prevention of Dengue Virus Infections SIGA TECHNOLOGIES, INC. 2012-01-26 US disclosed
US-20120022046-A1 Thienopyridine Derivatives for the Treatment and Prevention of Dengue Virus Infections SIGA TECHNOLOGIES, INC. 2012-01-26 US 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 (3 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-20120022046-A1 Thienopyridine Derivatives for the Treatment and Prevention of Dengue Virus Infections TTPA, TPMT, SLC19A2 RAB9A 1654/4885MAPT 138/4885THRB 440/4885
US-20130129677-A1 Thienopyridine Derivatives for the Treatment and Prevention of Dengue Virus Infections TTPA, TPMT, SLC19A2 RAB9A 1518/4885MAPT 85/4885THRB 396/4885
US-20170121344-A1 THIENOPYRIDINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF DENGUE VIRUS INFECTIONS TTPA, TPMT, SLC19A2 RAB9A 1518/4885MAPT 85/4885THRB 396/4885

“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.