SCHEMBL426340

SCHEMBL426340

Nc1c(C(=O)Nc2ccc([N+](=O)[O-])cc2)sc2nc3c(c(-c4ccco4)c12)CCCC3

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.80
KMT2A Q03164 7/20 0.80
ALDH1A1 P00352 7/20 0.80
MAPT P10636 6/20 0.80
NPSR1 Q6W5P4 4/20 0.80
LMNA P02545 3/20 0.77
KDM4E B2RXH2 3/20 0.69
SMN1; SMN2 Q16637 1/20 0.69
HTT P42858 2/20 0.66
EEF2K O00418 6/20 0.65
HSD17B10 Q99714 2/20 0.64
USP2 O75604 2/20 0.64
L3MBTL1 Q9Y468 2/20 0.64
PTK2B Q14289 1/20 0.64
ADORA2A P29274 1/20 0.58
NPC1 O15118 1/20 0.56
RAB9A P51151 1/20 0.56
HPGD P15428 3/20 0.53
TP53 P04637 1/20 0.53
TSHR P16473 1/20 0.53

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
SCHEMBL427662 0.98 MEN1 (0.80) MEN1KMT2AALDH1A1MAPTNPSR1
SCHEMBL18819112 0.91 KMT2A (0.81) MEN1KMT2AALDH1A1MAPTNPSR1
SCHEMBL13186407 0.89 ALDH1A1 (0.86) MEN1KMT2AALDH1A1MAPTNPSR1
SCHEMBL14969506 0.88 ALDH1A1 (0.97) MEN1KMT2AALDH1A1MAPTNPSR1
SCHEMBL13392956 0.87 ALDH1A1 (0.84) MEN1KMT2AALDH1A1MAPTNPSR1
SCHEMBL13186408 0.87 KMT2A (0.86) MEN1KMT2AALDH1A1MAPTNPSR1
SCHEMBL18537648 0.87 ALDH1A1 (0.88) MEN1KMT2AALDH1A1MAPTNPSR1
SCHEMBL14969396 0.86 ALDH1A1 (1.00) MEN1KMT2AALDH1A1MAPTNPSR1
SCHEMBL15788371 0.84 ALDH1A1 (0.81) MEN1KMT2AALDH1A1MAPTNPSR1
SCHEMBL430508 0.81 ALDH1A1 (1.00) MEN1KMT2AALDH1A1MAPTNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170121344-A1 THIENOPYRIDINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF DENGUE VIRUS INFECTIONS SIGA TECHNOLOGIES, INC. (US) 2017-05-04 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-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

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 MEN1 3284/4885KMT2A 2433/4885ALDH1A1 1271/4885
US-20130129677-A1 Thienopyridine Derivatives for the Treatment and Prevention of Dengue Virus Infections TTPA, TPMT, SLC19A2 MEN1 3532/4885KMT2A 2603/4885ALDH1A1 1400/4885
US-20170121344-A1 THIENOPYRIDINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF DENGUE VIRUS INFECTIONS TTPA, TPMT, SLC19A2 MEN1 3532/4885KMT2A 2603/4885ALDH1A1 1400/4885

“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.