SCHEMBL429716

SCHEMBL429716

CCOc1ccc(-c2c3c(nc4sc(C(=O)Nc5nccs5)c(N)c24)CCCC3)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.57
KDM4E B2RXH2 7/20 0.57
MAPT P10636 6/20 0.57
NPSR1 Q6W5P4 6/20 0.57
KMT2A Q03164 3/20 0.57
HSD17B10 Q99714 3/20 0.57
MAPK1 P28482 1/20 0.57
HPGD P15428 3/20 0.55
MEN1 O00255 2/20 0.55
RAB9A P51151 3/20 0.52
TP53 P04637 2/20 0.52
TDP1 Q9NUW8 2/20 0.52
NPC1 O15118 2/20 0.52
POLB P06746 2/20 0.52
CASP1 P29466 2/20 0.52
CASP7 P55210 2/20 0.52
LMNA P02545 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
EEF2K O00418 6/20 0.52
GAA P10253 3/20 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
SCHEMBL429444 0.81 ALDH1A1 (0.70) ALDH1A1KDM4EMAPTNPSR1KMT2A
SCHEMBL429082 0.80 EEF2K (0.54) ALDH1A1KDM4EMAPTNPSR1KMT2A
SCHEMBL427616 0.80 ALDH1A1 (0.74) ALDH1A1KDM4EMAPTNPSR1KMT2A
SCHEMBL19769236 0.75 ALDH1A1 (0.77) ALDH1A1KDM4EMAPTNPSR1KMT2A
SCHEMBL17624911 0.73 ALDH1A1 (1.00) ALDH1A1KDM4EMAPTNPSR1KMT2A
SCHEMBL15033402 0.71 LMNA (0.86) ALDH1A1KDM4EMAPTHPGDTP53
SCHEMBL431177 0.71 ALDH1A1 (0.96) ALDH1A1KDM4EMAPTNPSR1KMT2A
SCHEMBL21589905 0.70 ALDH1A1 (0.67) ALDH1A1KDM4EMAPTNPSR1KMT2A
SCHEMBL25891578 0.70 ALDH1A1 (0.67) ALDH1A1KDM4EMAPTNPSR1KMT2A
SCHEMBL10134626 0.70 ALDH1A1 (0.94) ALDH1A1KDM4EMAPTNPSR1KMT2A

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 19 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
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-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-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-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 (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 ALDH1A1 1271/4885KDM4E 1399/4885MAPT 138/4885
US-20130129677-A1 Thienopyridine Derivatives for the Treatment and Prevention of Dengue Virus Infections TTPA, TPMT, SLC19A2 ALDH1A1 1400/4885KDM4E 1403/4885MAPT 85/4885
US-20170121344-A1 THIENOPYRIDINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF DENGUE VIRUS INFECTIONS TTPA, TPMT, SLC19A2 ALDH1A1 1400/4885KDM4E 1403/4885MAPT 85/4885
US-20160152635-A1 THIENOPYRIDINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF DENGUE VIRUS INFECTIONS TTPA, TPMT, SLC19A2 ALDH1A1 1271/4885KDM4E 1399/4885MAPT 138/4885

“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.