SCHEMBL16944487

SCHEMBL16944487

Brc1ccc(CSc2nnc(-c3cccnc3)o2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 1.00
RECQL P46063 1/20 0.77
CYP1A2 P05177 1/20 0.77
CYP3A4 P08684 1/20 0.77
CYP2D6 P10635 1/20 0.77
CYP2C9 P11712 1/20 0.77
CYP2C19 P33261 1/20 0.77
SMN1; SMN2 Q16637 4/20 0.77
RAB9A P51151 4/20 0.77
HTT P42858 4/20 0.77
NPC1 O15118 3/20 0.77
STAT1 P42224 1/20 0.61
TP53 P04637 1/20 0.61
GSK3A P49840 2/20 0.60
GSK3B P49841 2/20 0.60
PKM P14618 1/20 0.60
HPGD P15428 3/20 0.59
GAA P10253 1/20 0.59
EGFR P00533 1/20 0.58
ALDH1A1 P00352 2/20 0.58

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
SCHEMBL3612855 0.88 RAB9A (0.97) LMNARECQLCYP1A2CYP3A4CYP2D6
SCHEMBL16944482 0.87 RECQL (1.00) LMNARECQLCYP1A2CYP3A4CYP2D6
SCHEMBL16157164 0.87 RAB9A (0.77) LMNARECQLCYP1A2CYP3A4CYP2D6
SCHEMBL16211143 0.85 EGFR (0.80) LMNACYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL16944461 0.84 NPC1 (0.79) LMNARECQLCYP1A2CYP3A4CYP2D6
SCHEMBL14603735 0.84 PTGS2 (0.76) LMNACYP1A2CYP2C19SMN1; SMN2RAB9A
SCHEMBL21041291 0.80 GSK3B (0.71) LMNARECQLCYP1A2CYP3A4CYP2D6
SCHEMBL16157156 0.80 RAB9A (0.82) LMNARECQLCYP1A2CYP3A4CYP2D6
SCHEMBL24393914 0.79 GSK3B (0.76) LMNARECQLCYP1A2CYP3A4CYP2D6
SCHEMBL9058883 0.78 HTT (0.79) LMNARECQLCYP1A2CYP3A4CYP2D6

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 LMNA 3745/4885RECQL 1048/4885CYP1A2 3727/4885
US-20150210679-A1 SMALL MOLECULE INHIBITORS OF SUPEROXIDE DISMUTASE EXPRESSION SOD1, SOD3, CAT LMNA 3745/4885RECQL 1048/4885CYP1A2 3727/4885

“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.