SCHEMBL9915082

SCHEMBL9915082

COc1ccc(C(=O)SNC(=O)c2ccccc2)c(OC)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.52
RAB9A P51151 6/20 0.52
ALDH1A1 P00352 5/20 0.52
MAPT P10636 4/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
LMNA P02545 3/20 0.52
HPGD P15428 3/20 0.52
HTT P42858 3/20 0.52
MEN1 O00255 5/20 0.50
KMT2A Q03164 5/20 0.50
GAA P10253 1/20 0.50
PKM P14618 1/20 0.50
CYP1A2 P05177 1/20 0.48
PGR P06401 1/20 0.48
CYP2D6 P10635 1/20 0.48
SLC6A2 P23975 1/20 0.48
PDE4A P27815 1/20 0.48
MAPK1 P28482 1/20 0.48
CYP2C19 P33261 1/20 0.48
HRH1 P35367 1/20 0.48

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
SCHEMBL9915154 0.85 RAB9A (0.63) NPC1RAB9AALDH1A1MAPTSMN1; SMN2
SCHEMBL9915152 0.81 RAB9A (0.66) NPC1RAB9ASMN1; SMN2HTTMEN1
SCHEMBL9915153 0.80 NPC1 (0.58) NPC1RAB9AALDH1A1SMN1; SMN2HTT
SCHEMBL30205105 0.77 NPC1 (0.81) NPC1RAB9AALDH1A1MAPTSMN1; SMN2
SCHEMBL3224251 0.77 NPC1 (0.81) NPC1RAB9AALDH1A1MAPTSMN1; SMN2
SCHEMBL30307041 0.75 NPC1 (0.56) NPC1RAB9AALDH1A1MAPTSMN1; SMN2
SCHEMBL8575442 0.74 MAPT (0.57) NPC1RAB9AALDH1A1MAPTSMN1; SMN2
SCHEMBL10680822 0.74 NPC1 (0.60) NPC1RAB9AALDH1A1MAPTSMN1; SMN2
SCHEMBL8820811 0.73 SMN1; SMN2 (0.76) NPC1RAB9AALDH1A1MAPTSMN1; SMN2
SCHEMBL4141992 0.73 KMT2A (0.75) NPC1RAB9AALDH1A1MAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9096504-B2 Controlled chemical release of hydrogen sulfide WASHINGTON STATE UNIVERSITY (US) 2015-08-04 US disclosed
US-20130253051-A1 CONTROLLED CHEMICAL RELEASE OF HYDROGEN SULFIDE WASHINGTON STATE UNIVERSITY (US) 2013-09-26 US disclosed
WO-2012075242-A2 CONTROLLED CHEMICAL RELEASE OF HYDROGEN SULFIDE WASHINGTON STATE UNIVERSITY RESEARCH FOUNDATION (US) 2012-06-07 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-20130253051-A1 CONTROLLED CHEMICAL RELEASE OF HYDROGEN SULFIDE GSR, AR, GRHPR NPC1 2731/4885RAB9A 3033/4885ALDH1A1 2368/4885

“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.