SCHEMBL9915113

SCHEMBL9915113

O=C(NSC(=O)c1ccccc1)c1ccc(F)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.54
RAB9A P51151 4/20 0.54
MEN1 O00255 5/20 0.53
KMT2A Q03164 5/20 0.53
POLB P06746 2/20 0.53
KCNK3 O14649 1/20 0.53
KCNK9 Q9NPC2 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.47
ALDH1A1 P00352 5/20 0.47
GLA P06280 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MAPT P10636 3/20 0.46
LMNA P02545 1/20 0.46
MITF O75030 1/20 0.45
CYP2C9 P11712 1/20 0.44
KDM4E B2RXH2 1/20 0.44
PPARG P37231 1/20 0.44
NCOA2 Q15596 1/20 0.44
NCOA1 Q15788 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
SCHEMBL15281686 1.00 NPC1 (0.54) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL11570198 0.91 HDAC3 (0.50) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL9274738 0.89 ALOX15 (0.52) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL9915150 0.83 NPC1 (0.57) NPC1RAB9AKMT2AKCNK3MAPT
SCHEMBL21326406 0.83 KMT2A (0.49) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL9915156 0.83 POLB (0.57) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL19002182 0.80 KCNK9 (0.55) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL15281773 0.79 RAB9A (0.57) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL9915153 0.79 NPC1 (0.58) NPC1RAB9AKMT2AKCNK9SMN1; SMN2
SCHEMBL21326416 0.78 NPC1 (0.59) NPC1RAB9AMEN1KMT2APOLB

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 3033/4885MEN1 3672/4885

“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.