SCHEMBL9915083

SCHEMBL9915083

O=C(NSC(=O)c1ccccc1)Nc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.57
TP53 P04637 2/20 0.57
EPHX1 P07099 1/20 0.57
TSHR P16473 1/20 0.57
EPHX2 P34913 1/20 0.57
CDK9 P50750 1/20 0.57
CLK4 Q9HAZ1 1/20 0.57
NPC1 O15118 4/20 0.55
RAB9A P51151 4/20 0.55
KMT2A Q03164 3/20 0.55
SIRT1 Q96EB6 2/20 0.55
MEN1 O00255 2/20 0.55
CASP3 P42574 1/20 0.50
SENP7 Q9BQF6 1/20 0.50
TAAR1 Q96RJ0 3/20 0.49
ALDH1A1 P00352 3/20 0.49
GAA P10253 3/20 0.49
KDM4E B2RXH2 2/20 0.49
MAPT P10636 1/20 0.49
MAOA P21397 2/20 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
SCHEMBL11570110 0.80 SMN1; SMN2 (0.48) SMN1; SMN2TP53EPHX1TSHREPHX2
SCHEMBL9274738 0.76 ALOX15 (0.52) SMN1; SMN2NPC1RAB9AKMT2ASIRT1
Diphenylurea SCHEMBL133103 0.75 SMN1; SMN2 (1.00) SMN1; SMN2TP53EPHX1TSHREPHX2
SCHEMBL1356859 0.75 MAPT (0.48) SMN1; SMN2TSHRKMT2AMEN1ALDH1A1
SCHEMBL11570198 0.75 HDAC3 (0.50) NPC1RAB9AKMT2AMEN1ALDH1A1
SCHEMBL9915114 0.75 CES1 (0.45) SMN1; SMN2TSHRNPC1RAB9AKMT2A
SCHEMBL11149444 0.74 ADRA2C (0.52) SMN1; SMN2TSHRNPC1RAB9AKMT2A
SCHEMBL28380800 0.73 CES1 (0.48) SMN1; SMN2TSHRNPC1RAB9AKMT2A
SCHEMBL10566560 0.73 GAA (0.51) SMN1; SMN2TP53EPHX1TSHREPHX2
Diphenylurea SCHEMBL3037927 0.73 SMN1; SMN2 (0.94) SMN1; SMN2TP53EPHX1TSHREPHX2

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 407/4885TP53 3339/4885EPHX1 1171/4885

“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.