SCHEMBL13977445

SCHEMBL13977445

O=c1nc(SCc2ccccc2)[nH]c2ccccc12

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.69
MAPT P10636 3/20 0.69
MEN1 O00255 2/20 0.69
KMT2A Q03164 2/20 0.69
NPSR1 Q6W5P4 2/20 0.69
PPARG P37231 1/20 0.69
RXFP1 Q9HBX9 1/20 0.69
NCOR2 Q9Y618 1/20 0.69
RAB9A P51151 4/20 0.63
NPC1 O15118 3/20 0.63
MAOB P27338 4/20 0.62
TP53 P04637 1/20 0.57
PKM P14618 2/20 0.54
SCN9A Q15858 1/20 0.54
TSHR P16473 1/20 0.54
GFER P55789 1/20 0.54
HPGD P15428 1/20 0.52
XDH P47989 1/20 0.51
HTT P42858 2/20 0.50
DAO P14920 1/20 0.50

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
SCHEMBL17383074 0.79 HPGD (0.75) SMN1; SMN2MAPTMEN1KMT2ANPSR1
SCHEMBL13401576 0.78 MAPK1 (0.65) SMN1; SMN2MAPTKMT2ANPSR1RXFP1
SCHEMBL3365328 0.78 MEN1 (0.64) SMN1; SMN2MAPTMEN1KMT2ANPSR1
SCHEMBL7421481 0.78 CTSB (0.50) SMN1; SMN2MAPTMEN1KMT2ANPSR1
SCHEMBL2949736 0.78 RAB9A (1.00) SMN1; SMN2MAPTMEN1KMT2ANPSR1
SCHEMBL31325504 0.78 RAB9A (1.00) SMN1; SMN2MAPTMEN1KMT2ANPSR1
SCHEMBL1132916 0.76 ALDH1A1 (0.44) SMN1; SMN2MEN1KMT2APPARGRXFP1
SCHEMBL9178002 0.73 GAA (0.60) MAPTKMT2APKMTSHRHPGD
SCHEMBL6866813 0.72 SCN9A (0.52) SMN1; SMN2MAPTRAB9ANPC1MAOB
SCHEMBL15693653 0.71 NPC1 (0.69) SMN1; SMN2MAPTMEN1KMT2ANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9221840-B2 Treating protein folding disorders with small molecule CFTR correctors DISCOVERYBIOMED INC. (US) 2015-12-29 US disclosed
US-9221840-B2 Treating protein folding disorders with small molecule CFTR correctors DISCOVERYBIOMED INC. (US) 2015-12-29 US disclosed
US-20140073632-A1 TREATING PROTEIN FOLDING DISORDERS WITH SMALL MOLECULE CFTR CORRECTORS THE UAB RESEARCH FOUNDATION (US) 2014-03-13 US disclosed
US-20140073632-A1 TREATING PROTEIN FOLDING DISORDERS WITH SMALL MOLECULE CFTR CORRECTORS THE UAB RESEARCH FOUNDATION (US) 2014-03-13 US disclosed
WO-2012158913-A2 TREATING PROTEIN FOLDING DISORDERS WITH SMALL MOLECULE CFTR CORRECTORS DISCOVERYBIOMED INC. (US) 2012-11-22 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 (1 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-20140073632-A1 TREATING PROTEIN FOLDING DISORDERS WITH SMALL MOLECULE CFTR CORRECTORS CFTR, CLCN2, SLC47A1 SMN1; SMN2 1902/4885MAPT 4188/4885MEN1 4193/4885

“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.