SCHEMBL1412475

SCHEMBL1412475

Nc1ccc2nc(SCC(=O)Nc3ccc4nc(SCC(=O)N5CCOCC5)sc4c3)sc2c1

nearest known ligand 0.78

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.78
THRB P10828 4/20 0.75
MAPT P10636 6/20 0.74
ALDH1A1 P00352 2/20 0.74
MEN1 O00255 1/20 0.74
APOBEC3A P31941 1/20 0.74
KMT2A Q03164 1/20 0.74
APOBEC3G Q9HC16 1/20 0.74
TP53 P04637 10/20 0.73
LMNA P02545 2/20 0.71
RXFP1 Q9HBX9 1/20 0.65
HPGD P15428 1/20 0.65
CASP1 P29466 1/20 0.65
HSD17B10 Q99714 1/20 0.65

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 0.91 MAPT (0.74) SMN1; SMN2THRBMAPTALDH1A1MEN1
SCHEMBL1412344 0.90 SMN1; SMN2 (0.80) SMN1; SMN2THRBMAPTALDH1A1TP53
SCHEMBL1414910 0.84 SMN1; SMN2 (0.73) SMN1; SMN2THRBMAPTALDH1A1TP53
SCHEMBL1412391 0.83 TP53 (0.75) SMN1; SMN2THRBMAPTTP53LMNA
SCHEMBL1412295 0.83 THRB (0.84) SMN1; SMN2THRBMAPTTP53LMNA
SCHEMBL2017456 0.81 MAPT (0.75) SMN1; SMN2THRBMAPTALDH1A1MEN1
SCHEMBL1412266 0.81 KAT8 (0.86) SMN1; SMN2THRBMAPTTP53LMNA
SCHEMBL1412328 0.81 SMN1; SMN2 (0.71) SMN1; SMN2THRBMAPTTP53LMNA
SCHEMBL1412236 0.81 MAPT (0.87) SMN1; SMN2THRBMAPTALDH1A1APOBEC3A
SCHEMBL1412265 0.80 MAPT (0.71) SMN1; SMN2THRBMAPTALDH1A1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150202195-A1 SMALL MOLECULE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DENGUE VIRUS INFECTION SIGA TECHNOLOGIES, INC. 2015-07-23 US claimed
US-9029376-B2 Small molecule inhibitors for the treatment or prevention of dengue virus infection SIGA TECHNOLOGIES, INC. (US) 2015-05-12 US claimed
US-20110158940-A1 SAMLL MOLECULE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DENGUE VIRUS INFECTION SIGA TECHNOLOGIES, INC. 2011-06-30 US claimed
EP-2293671-A1 SMALL MOLECULE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DENGUE VIRUS INFECTION Siga Technologies, Inc. (US) 2011-03-16 EP claimed
WO-2009149054-A1 SMALL MOLECULE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DENGUE VIRUS INFECTION SIGA TECHNOLOGIES, INC. (US) 2009-12-10 WO 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
EP-2293671-A1 SMALL MOLECULE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DENGUE VIRUS INFECTION Siga Technologies, Inc. (US) 2011-03-16 EP 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 SMN1; SMN2 1051/4885THRB 2924/4885MAPT 219/4885
US-20110158940-A1 SAMLL MOLECULE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DENGUE VIRUS INFECTION HAVCR2, HNRNPLL, SAMSN1 SMN1; SMN2 1972/4885THRB 2882/4885MAPT 480/4885

“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.