SCHEMBL16944461

SCHEMBL16944461

COc1ccc(CSc2nnc(-c3cccnc3)o2)cc1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.79
RAB9A P51151 5/20 0.79
LMNA P02545 4/20 0.79
SMN1; SMN2 Q16637 4/20 0.79
RECQL P46063 1/20 0.76
CYP1A2 P05177 2/20 0.72
CYP3A4 P08684 2/20 0.72
CYP2C19 P33261 2/20 0.72
CYP2D6 P10635 1/20 0.72
CYP2C9 P11712 1/20 0.72
HTT P42858 3/20 0.72
GSK3A P49840 2/20 0.71
GSK3B P49841 2/20 0.71
ALDH1A1 P00352 4/20 0.71
HPGD P15428 2/20 0.64
KDM4E B2RXH2 1/20 0.64
MAPT P10636 2/20 0.61
EGFR P00533 1/20 0.60
TSHR P16473 2/20 0.59
MAPK1 P28482 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
SCHEMBL16944482 0.86 RECQL (1.00) NPC1RAB9ALMNASMN1; SMN2RECQL
SCHEMBL16157061 0.86 GSK3A (0.75) NPC1RAB9ALMNASMN1; SMN2HTT
SCHEMBL16944471 0.85 GSK3B (0.95) NPC1RAB9ALMNASMN1; SMN2HTT
SCHEMBL3612855 0.85 RAB9A (0.97) NPC1RAB9ALMNASMN1; SMN2RECQL
SCHEMBL16157164 0.84 RAB9A (0.77) NPC1RAB9ALMNASMN1; SMN2RECQL
SCHEMBL16944487 0.84 LMNA (1.00) NPC1RAB9ALMNASMN1; SMN2RECQL
SCHEMBL14604115 0.84 GSK3B (0.91) NPC1RAB9ALMNASMN1; SMN2HTT
SCHEMBL14604069 0.83 GSK3B (1.00) NPC1RAB9ALMNASMN1; SMN2HTT
SCHEMBL16157036 0.81 EGFR (0.79) NPC1RAB9ALMNASMN1; SMN2HTT
SCHEMBL16944446 0.80 GSK3B (0.66) NPC1RAB9ALMNASMN1; SMN2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9669014-B2 Small molecule inhibitors of superoxide dismutase expression NORTHWESTERN UNIVERSITY (US) 2017-06-06 US disclosed
US-9669014-B2 Small molecule inhibitors of superoxide dismutase expression NORTHWESTERN UNIVERSITY (US) 2017-06-06 US disclosed
US-20160214969-A1 SMALL MOLECULE INHIBITORS OF SUPEROXIDE DISMUTASE EXPRESSION NORTHWESTERN UNIVERSITY (US) 2016-07-28 US disclosed
US-20160214969-A1 SMALL MOLECULE INHIBITORS OF SUPEROXIDE DISMUTASE EXPRESSION NORTHWESTERN UNIVERSITY (US) 2016-07-28 US disclosed
US-20150210679-A1 SMALL MOLECULE INHIBITORS OF SUPEROXIDE DISMUTASE EXPRESSION NORTHWESTERN UNIVERSITY (US) 2015-07-30 US disclosed
US-20150210679-A1 SMALL MOLECULE INHIBITORS OF SUPEROXIDE DISMUTASE EXPRESSION NORTHWESTERN UNIVERSITY (US) 2015-07-30 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 (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-20160214969-A1 SMALL MOLECULE INHIBITORS OF SUPEROXIDE DISMUTASE EXPRESSION SOD1, SOD3, CAT NPC1 3089/4885RAB9A 1431/4885LMNA 3745/4885
US-20150210679-A1 SMALL MOLECULE INHIBITORS OF SUPEROXIDE DISMUTASE EXPRESSION SOD1, SOD3, CAT NPC1 3089/4885RAB9A 1431/4885LMNA 3745/4885

“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.