SCHEMBL2020656

SCHEMBL2020656

NC(=O)C1CCN(C(=O)CSc2nc3ccccc3s2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 1.00
SMN1; SMN2 Q16637 5/20 0.76
HPGD P15428 3/20 0.76
NPC1 O15118 2/20 0.76
RAB9A P51151 2/20 0.76
MAPT P10636 10/20 0.71
HSD17B10 Q99714 2/20 0.69
MAPK1 P28482 1/20 0.69
GAA P10253 2/20 0.61
HTT P42858 3/20 0.58
LMNA P02545 3/20 0.58
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58
POLB P06746 3/20 0.57
PKM P14618 2/20 0.57
RECQL P46063 2/20 0.56
APEX1 P27695 1/20 0.56
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2C9 P11712 1/20 0.55

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
SCHEMBL16921246 0.86 ALDH1A1 (1.00) ALDH1A1SMN1; SMN2HPGDNPC1RAB9A
SCHEMBL1412334 0.85 ALDH1A1 (0.97) ALDH1A1SMN1; SMN2HPGDNPC1RAB9A
SCHEMBL1412432 0.83 ALDH1A1 (1.00) ALDH1A1SMN1; SMN2HPGDNPC1RAB9A
SCHEMBL1412471 0.80 ALDH1A1 (0.74) ALDH1A1SMN1; SMN2HPGDNPC1RAB9A
SCHEMBL1412333 0.78 ALDH1A1 (0.71) ALDH1A1SMN1; SMN2HPGDNPC1RAB9A
SCHEMBL2017324 0.77 ALDH1A1 (1.00) ALDH1A1SMN1; SMN2HPGDNPC1RAB9A
SCHEMBL2261407 0.76 POLB (0.77) ALDH1A1SMN1; SMN2HPGDNPC1RAB9A
SCHEMBL13096450 0.76 ALDH1A1 (0.69) ALDH1A1SMN1; SMN2HPGDNPC1RAB9A
SCHEMBL1412273 0.76 ALDH1A1 (0.69) ALDH1A1SMN1; SMN2HPGDNPC1RAB9A
SCHEMBL1412315 0.76 ALDH1A1 (1.00) ALDH1A1SMN1; SMN2HPGDNPC1RAB9A

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 12 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-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 ALDH1A1 3106/4885SMN1; SMN2 1051/4885HPGD 2186/4885
US-20110158940-A1 SAMLL MOLECULE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DENGUE VIRUS INFECTION HAVCR2, HNRNPLL, SAMSN1 ALDH1A1 2694/4885SMN1; SMN2 1972/4885HPGD 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.