SCHEMBL427434

SCHEMBL427434

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 1.00
THRB P10828 1/20 1.00
SMN1; SMN2 Q16637 1/20 1.00
RAB9A P51151 5/20 0.82
NPC1 O15118 4/20 0.72
MEN1 O00255 2/20 0.72
KMT2A Q03164 2/20 0.72
L3MBTL1 Q9Y468 4/20 0.68
TP53 P04637 1/20 0.67
RXFP1 Q9HBX9 1/20 0.66
POLB P06746 3/20 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
CDK8 P49336 1/20 0.64
CDK19 Q9BWU1 1/20 0.64
ALDH1A1 P00352 1/20 0.61

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
SCHEMBL426333 0.92 MAPT (0.85) MAPTTHRBSMN1; SMN2RAB9ANPC1
SCHEMBL17712418 0.92 MAPT (0.85) MAPTTHRBSMN1; SMN2RAB9ANPC1
SCHEMBL16384066 0.92 MAPT (0.85) MAPTTHRBSMN1; SMN2RAB9ANPC1
SCHEMBL427966 0.89 RAB9A (0.83) MAPTTHRBSMN1; SMN2RAB9ANPC1
SCHEMBL426701 0.89 RAB9A (0.83) MAPTTHRBSMN1; SMN2RAB9ANPC1
SCHEMBL18537729 0.86 MAPT (0.75) MAPTTHRBSMN1; SMN2RAB9ANPC1
SCHEMBL426591 0.85 RAB9A (0.76) MAPTTHRBSMN1; SMN2RAB9ANPC1
SCHEMBL428775 0.84 RAB9A (0.81) MAPTTHRBSMN1; SMN2RAB9ANPC1
SCHEMBL12562440 0.84 CDK8 (0.83) MAPTTHRBSMN1; SMN2RAB9ANPC1
SCHEMBL16384051 0.83 RAB9A (1.00) MAPTTHRBSMN1; SMN2RAB9ANPC1

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
US-20180015077-A1 COMPOUNDS AND METHODS FOR TREATING HIV INFECTION NAKAMURA, ROBERT 2018-01-18 US disclosed
US-20180015077-A1 COMPOUNDS AND METHODS FOR TREATING HIV INFECTION NAKAMURA, ROBERT 2018-01-18 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
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-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
WO-2010099166-A1 THIENOPYRIDINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF DENGUE VIRUS INFECTIONS SIGA TECHNOLOGIES, INC. (US) 2010-09-02 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 (4 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-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-20180015077-A1 COMPOUNDS AND METHODS FOR TREATING HIV INFECTION CD4, CCR5, MMP8 MAPT 1713/4885THRB 4410/4885SMN1; SMN2 4241/4885

“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.