SCHEMBL9915109

SCHEMBL9915109

Cc1ccccc1C(=O)NSC(=O)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.54
ALDH1A1 P00352 3/20 0.54
HPGD P15428 6/20 0.53
KCNK3 O14649 1/20 0.51
KCNK9 Q9NPC2 1/20 0.51
KMT2A Q03164 1/20 0.49
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C19 P33261 1/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
GAA P10253 1/20 0.45
POLB P06746 1/20 0.45

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
SCHEMBL9915151 0.87 ALDH1A1 (0.54) SMN1; SMN2ALDH1A1HPGDKCNK3KCNK9
SCHEMBL9274738 0.80 ALOX15 (0.52) SMN1; SMN2ALDH1A1HPGDKCNK3KCNK9
SCHEMBL11570198 0.78 HDAC3 (0.50) ALDH1A1KCNK3KCNK9KMT2ACYP1A2
SCHEMBL9915156 0.78 POLB (0.57) SMN1; SMN2ALDH1A1HPGDKMT2ACYP1A2
SCHEMBL11940437 0.76 HPGD (0.49) SMN1; SMN2ALDH1A1HPGDKCNK3KCNK9
SCHEMBL12323189 0.75 NPC1 (0.75) SMN1; SMN2ALDH1A1HPGDKCNK3KCNK9
SCHEMBL28176461 0.75 ALDH1A1 (0.69) SMN1; SMN2ALDH1A1HPGDKCNK3KCNK9
SCHEMBL9915114 0.74 CES1 (0.45) SMN1; SMN2ALDH1A1HPGDKMT2ACYP3A4
SCHEMBL3627482 0.72 CES2 (0.61) SMN1; SMN2ALDH1A1HPGDKCNK3KCNK9
SCHEMBL29231950 0.72 HPGD (0.66) SMN1; SMN2ALDH1A1HPGDKCNK3KCNK9

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 SMN1; SMN2 407/4885ALDH1A1 2368/4885HPGD 815/4885

“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.