SCHEMBL9915091

SCHEMBL9915091

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
LMNA P02545 3/20 0.45
NPC1 O15118 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
EPHX2 P34913 1/20 0.45
RAB9A P51151 1/20 0.45
HPGD P15428 1/20 0.45
HDAC1 Q13547 3/20 0.44
HDAC8 Q9BY41 3/20 0.44
HDAC6 Q9UBN7 3/20 0.44
HDAC3 O15379 2/20 0.44
HDAC7 Q8WUI4 2/20 0.44
HDAC2 Q92769 2/20 0.44
HDAC4 P56524 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC9 Q9UKV0 1/20 0.44
HDAC5 Q9UQL6 1/20 0.44
CA12 O43570 1/20 0.44

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
SCHEMBL9915090 0.83 GPR139 (0.48) LMNANPC1SMN1; SMN2EPHX2RAB9A
SCHEMBL9915160 0.80 MDM4 (0.54) TDP1LMNANPC1SMN1; SMN2RAB9A
SCHEMBL11940437 0.79 HPGD (0.49) L3MBTL1LMNANPC1SMN1; SMN2RAB9A
SCHEMBL27515367 0.78 ALOX15 (0.56) TDP1NPC1SMN1; SMN2RAB9AHPGD
SCHEMBL17460967 0.77 HDAC3 (0.37) TDP1L3MBTL1LMNASMN1; SMN2HPGD
SCHEMBL9274738 0.75 ALOX15 (0.52) TDP1NPC1SMN1; SMN2RAB9AHPGD
SCHEMBL11570198 0.73 HDAC3 (0.50) LMNANPC1RAB9AHDAC1HDAC8
SCHEMBL9915084 0.73 HDAC3 (0.50) L3MBTL1LMNANPC1SMN1; SMN2RAB9A
SCHEMBL28343144 0.72 ALOX15 (0.58) TDP1NPC1SMN1; SMN2RAB9AHPGD
SCHEMBL2328390 0.72 TDP1 (0.54) TDP1L3MBTL1LMNAHDAC1HDAC8

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-9096504-B2 Controlled chemical release of hydrogen sulfide WASHINGTON STATE UNIVERSITY (US) 2015-08-04 US disclosed
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
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 TDP1 1551/4885L3MBTL1 1377/4885LMNA 4135/4885

“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.