SCHEMBL9915087

SCHEMBL9915087

O=C(NSC(=O)C1CCCCC1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 1/20 0.50
KCNK9 Q9NPC2 1/20 0.50
RAB9A P51151 4/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
GAA P10253 3/20 0.48
ALDH1A1 P00352 1/20 0.48
NPC1 O15118 2/20 0.48
HPGD P15428 1/20 0.46
ATM Q13315 1/20 0.43
POLB P06746 1/20 0.43
ELANE P08246 1/20 0.43
HTT P42858 2/20 0.42
CETP P11597 1/20 0.42
ADCY1 Q08828 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42

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
SCHEMBL9915088 0.98 KCNK3 (0.48) KCNK3KCNK9RAB9ASMN1; SMN2GAA
SCHEMBL11568202 0.76 RAB9A (0.50) KCNK3KCNK9RAB9ASMN1; SMN2GAA
SCHEMBL28535957 0.75 RAB9A (0.56) KCNK3KCNK9RAB9ASMN1; SMN2GAA
SCHEMBL4266412 0.75 KCNK3 (0.61) KCNK3KCNK9RAB9ASMN1; SMN2GAA
SCHEMBL27515367 0.74 ALOX15 (0.56) KCNK3KCNK9RAB9ASMN1; SMN2GAA
SCHEMBL10582886 0.73 ALDH1A1 (0.68) KCNK3KCNK9RAB9AGAAALDH1A1
SCHEMBL11191665 0.72 RAB9A (0.53) KCNK3KCNK9RAB9ASMN1; SMN2GAA
SCHEMBL29139134 0.72 HDAC3 (0.48) RAB9ASMN1; SMN2GAAALDH1A1NPC1
SCHEMBL33443 0.71 SRD5A2 (0.67) KCNK3KCNK9RAB9AHPGDPOLB
SCHEMBL1427963 0.71 SRD5A2 (0.67) KCNK3KCNK9RAB9AHPGDPOLB

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 KCNK3 1688/4885KCNK9 2692/4885RAB9A 3033/4885

“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.