SCHEMBL426333

SCHEMBL426333

COCc1cc(C)nc2sc(C(=O)Nc3ccc(C(=O)OC)cc3)c(N)c12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.85
THRB P10828 1/20 0.85
SMN1; SMN2 Q16637 1/20 0.85
RAB9A P51151 4/20 0.82
L3MBTL1 Q9Y468 4/20 0.72
POLB P06746 3/20 0.72
NPC1 O15118 3/20 0.72
MEN1 O00255 2/20 0.72
KMT2A Q03164 2/20 0.72
TP53 P04637 2/20 0.67
RXFP1 Q9HBX9 2/20 0.66
KDM4E B2RXH2 3/20 0.65
GAA P10253 1/20 0.65
ALOX15 P16050 1/20 0.65
CASP1 P29466 1/20 0.65
CASP7 P55210 1/20 0.65
HSD17B10 Q99714 1/20 0.65
ALDH1A1 P00352 1/20 0.64
HPGD P15428 1/20 0.64
ATM Q13315 1/20 0.64

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
SCHEMBL427434 0.92 MAPT (1.00) MAPTTHRBSMN1; SMN2RAB9AL3MBTL1
SCHEMBL17712418 0.92 MAPT (0.85) MAPTTHRBSMN1; SMN2RAB9AL3MBTL1
SCHEMBL16384066 0.90 MAPT (0.85) MAPTTHRBSMN1; SMN2RAB9AL3MBTL1
SCHEMBL427966 0.89 RAB9A (0.83) MAPTTHRBSMN1; SMN2RAB9AL3MBTL1
SCHEMBL426701 0.89 RAB9A (0.83) MAPTTHRBSMN1; SMN2RAB9AL3MBTL1
SCHEMBL13186390 0.88 MAPT (0.67) MAPTTHRBSMN1; SMN2RAB9AL3MBTL1
SCHEMBL426591 0.85 RAB9A (0.76) MAPTTHRBSMN1; SMN2RAB9AL3MBTL1
SCHEMBL19769224 0.84 L3MBTL1 (1.00) MAPTTHRBSMN1; SMN2RAB9AL3MBTL1
SCHEMBL16384051 0.83 RAB9A (1.00) MAPTTHRBSMN1; SMN2RAB9AL3MBTL1
SCHEMBL14962958 0.83 MAPT (0.63) MAPTTHRBSMN1; SMN2RAB9APOLB

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9695193-B2 Inhibitors of Plasmodium falciparum equilibrative nucleoside transporter type I as anti-parasitic compounds THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2017-07-04 US disclosed
US-9695193-B2 Inhibitors of Plasmodium falciparum equilibrative nucleoside transporter type I as anti-parasitic compounds THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2017-07-04 US disclosed
EP-3181568-A1 THIENOPYRIDINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF DENGUE VIRUS INFECTIONS Siga Technologies, Inc. (US) 2017-06-21 EP disclosed
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
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
EP-2400845-B1 THIENOPYRIDINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF DENGUE VIRUS INFECTIONS SIGA TECH INC (US) 2017-02-22 EP disclosed
US-20160152635-A1 THIENOPYRIDINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF DENGUE VIRUS INFECTIONS SIGA TECHNOLOGIES, INC. (US) 2016-06-02 US disclosed
US-20160122362-A1 INHIBITORS OF PLASMODIUM FALCIPARUM EQUILIBRATIVE NUCLEOSIDE TRANSPORTER TYPE I AS ANTI-PARASITIC COMPOUNDS UNIV COLUMBIA (US) 2016-05-05 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
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-2014210319-A2 INHIBITORS OF PLASMODIUM FALCIPARUM EQUILIBRATIVE NUCLEOSIDE TRANSPORTER TYPE 1 AS ANTI-PARASITIC COMPOUNDS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2014-12-31 WO 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-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 (5 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 MAPT 138/4885THRB 440/4885SMN1; SMN2 993/4885
US-20160122362-A1 INHIBITORS OF PLASMODIUM FALCIPARUM EQUILIBRATIVE NUCLEOSIDE TRANSPORTER TYPE I AS ANTI-PARASITIC COMPOUNDS SLC29A1, SLC29A2, SLC28A1 MAPT 2408/4885THRB 4162/4885SMN1; SMN2 4145/4885
US-20130129677-A1 Thienopyridine Derivatives for the Treatment and Prevention of Dengue Virus Infections TTPA, TPMT, SLC19A2 MAPT 85/4885THRB 396/4885SMN1; SMN2 1076/4885
US-20170121344-A1 THIENOPYRIDINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF DENGUE VIRUS INFECTIONS TTPA, TPMT, SLC19A2 MAPT 85/4885THRB 396/4885SMN1; SMN2 1076/4885
US-20160152635-A1 THIENOPYRIDINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF DENGUE VIRUS INFECTIONS TTPA, TPMT, SLC19A2 MAPT 138/4885THRB 440/4885SMN1; SMN2 993/4885

“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.