SCHEMBL2017456

SCHEMBL2017456

Nc1ccc2nc(SCC(=O)N3CCCC3)sc2c1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 13/20 0.75
ALDH1A1 P00352 5/20 0.69
HPGD P15428 4/20 0.69
NPC1 O15118 1/20 0.69
RAB9A P51151 1/20 0.69
SMN1; SMN2 Q16637 1/20 0.69
CASP1 P29466 1/20 0.66
HSD17B10 Q99714 1/20 0.66
LMNA P02545 8/20 0.64
THRB P10828 4/20 0.63
KDM4E B2RXH2 1/20 0.63
MEN1 O00255 2/20 0.62
KMT2A Q03164 2/20 0.62
POLB P06746 3/20 0.61
SHMT2 P34897 1/20 0.60
TP53 P04637 6/20 0.59
TDP1 Q9NUW8 2/20 0.59
GAA P10253 1/20 0.59
NR4A1 P22736 1/20 0.59
APEX1 P27695 1/20 0.59

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
SCHEMBL1412303 0.90 MAPT (0.74) MAPTALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL2027093 0.85 MAPT (0.65) MAPTALDH1A1HPGDNPC1RAB9A
SCHEMBL2024100 0.84 MAPT (0.75) MAPTALDH1A1HPGDNPC1RAB9A
SCHEMBL2027338 0.84 MAPT (0.82) MAPTALDH1A1HPGDNPC1RAB9A
SCHEMBL1412284 0.84 MAPT (0.67) MAPTALDH1A1HPGDNPC1RAB9A
SCHEMBL1412342 0.83 MAPT (0.77) MAPTALDH1A1HPGDNPC1RAB9A
SCHEMBL1412334 0.83 ALDH1A1 (0.97) MAPTALDH1A1HPGDNPC1RAB9A
SCHEMBL1416024 0.82 MEN1 (0.65) MAPTALDH1A1HPGDNPC1RAB9A
SCHEMBL1412432 0.81 ALDH1A1 (1.00) MAPTALDH1A1HPGDNPC1RAB9A
SCHEMBL1412475 0.81 SMN1; SMN2 (0.78) MAPTALDH1A1HPGDSMN1; SMN2CASP1

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-20110158940-A1 SAMLL MOLECULE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DENGUE VIRUS INFECTION SIGA TECHNOLOGIES, INC. 2011-06-30 US claimed
US-20150202195-A1 SMALL MOLECULE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DENGUE VIRUS INFECTION SIGA TECHNOLOGIES, INC. 2015-07-23 US disclosed
US-20150202195-A1 SMALL MOLECULE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DENGUE VIRUS INFECTION SIGA TECHNOLOGIES, INC. 2015-07-23 US disclosed
US-20150202195-A1 SMALL MOLECULE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DENGUE VIRUS INFECTION SIGA TECHNOLOGIES, INC. 2015-07-23 US disclosed
US-9029376-B2 Small molecule inhibitors for the treatment or prevention of dengue virus infection SIGA TECHNOLOGIES, INC. (US) 2015-05-12 US disclosed
US-9029376-B2 Small molecule inhibitors for the treatment or prevention of dengue virus infection SIGA TECHNOLOGIES, INC. (US) 2015-05-12 US disclosed
US-9029376-B2 Small molecule inhibitors for the treatment or prevention of dengue virus infection SIGA TECHNOLOGIES, INC. (US) 2015-05-12 US disclosed
US-20110158940-A1 SAMLL MOLECULE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DENGUE VIRUS INFECTION SIGA TECHNOLOGIES, INC. 2011-06-30 US disclosed
US-20110158940-A1 SAMLL MOLECULE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DENGUE VIRUS INFECTION SIGA TECHNOLOGIES, INC. 2011-06-30 US disclosed
US-20110158940-A1 SAMLL MOLECULE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DENGUE VIRUS INFECTION SIGA TECHNOLOGIES, INC. 2011-06-30 US disclosed
WO-2009149054-A1 SMALL MOLECULE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DENGUE VIRUS INFECTION SIGA TECHNOLOGIES, INC. (US) 2009-12-10 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 (2 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-20150202195-A1 SMALL MOLECULE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DENGUE VIRUS INFECTION SNRPE, EIF2AK2, HAVCR2 MAPT 219/4885ALDH1A1 3106/4885HPGD 2186/4885
US-20110158940-A1 SAMLL MOLECULE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DENGUE VIRUS INFECTION HAVCR2, HNRNPLL, SAMSN1 MAPT 480/4885ALDH1A1 2694/4885HPGD 2847/4885

“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.