SCHEMBL427979

SCHEMBL427979

CCc1ccccc1NC(=O)c1sc2nc3c(c(-c4ccco4)c2c1N)CCC3

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.83
ALDH1A1 P00352 6/20 0.80
NPSR1 Q6W5P4 5/20 0.80
KDM4E B2RXH2 2/20 0.80
SMN1; SMN2 Q16637 1/20 0.80
MEN1 O00255 5/20 0.75
KMT2A Q03164 5/20 0.75
LMNA P02545 3/20 0.75
MAPT P10636 6/20 0.73
HSD17B10 Q99714 2/20 0.67
USP2 O75604 1/20 0.67
PTK2B Q14289 1/20 0.67
L3MBTL1 Q9Y468 1/20 0.67
EEF2K O00418 6/20 0.64
TSHR P16473 2/20 0.52
RXFP1 Q9HBX9 1/20 0.52
TP53 P04637 3/20 0.51
HPGD P15428 2/20 0.51
MAPK1 P28482 1/20 0.51
BRCA1 P38398 1/20 0.51

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
SCHEMBL430508 0.89 ALDH1A1 (1.00) HTTALDH1A1NPSR1KDM4ESMN1; SMN2
SCHEMBL18537648 0.84 ALDH1A1 (0.88) HTTALDH1A1NPSR1KDM4ESMN1; SMN2
SCHEMBL14969396 0.84 ALDH1A1 (1.00) HTTALDH1A1NPSR1KDM4ESMN1; SMN2
SCHEMBL13186408 0.83 KMT2A (0.86) HTTALDH1A1NPSR1KDM4ESMN1; SMN2
SCHEMBL14969506 0.82 ALDH1A1 (0.97) HTTALDH1A1NPSR1KDM4ESMN1; SMN2
SCHEMBL13186407 0.81 ALDH1A1 (0.86) HTTALDH1A1NPSR1KDM4ESMN1; SMN2
SCHEMBL15788371 0.81 ALDH1A1 (0.81) HTTALDH1A1NPSR1KDM4ESMN1; SMN2
SCHEMBL429326 0.81 MAPT (1.00) HTTALDH1A1NPSR1KDM4ESMN1; SMN2
SCHEMBL14955153 0.81 MAPT (0.84) HTTALDH1A1NPSR1KDM4ESMN1; SMN2
SCHEMBL13392946 0.81 MAPT (0.74) HTTALDH1A1NPSR1KDM4ESMN1; SMN2

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 13 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
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 (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 HTT 2608/4885ALDH1A1 1271/4885NPSR1 3045/4885
US-20130129677-A1 Thienopyridine Derivatives for the Treatment and Prevention of Dengue Virus Infections TTPA, TPMT, SLC19A2 HTT 2588/4885ALDH1A1 1400/4885NPSR1 3044/4885
US-20170121344-A1 THIENOPYRIDINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF DENGUE VIRUS INFECTIONS TTPA, TPMT, SLC19A2 HTT 2588/4885ALDH1A1 1400/4885NPSR1 3044/4885

“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.