SCHEMBL10138501

SCHEMBL10138501

Cc1ccc(SNc2nc(-c3ccccc3)ns2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 11/20 0.58
RXFP1 Q9HBX9 1/20 0.58
NPC1 O15118 6/20 0.51
RAB9A P51151 6/20 0.51
MEN1 O00255 5/20 0.51
KMT2A Q03164 5/20 0.51
CASP3 P42574 2/20 0.51
SENP8 Q96LD8 2/20 0.51
SENP7 Q9BQF6 2/20 0.51
SENP6 Q9GZR1 2/20 0.51
SMN1; SMN2 Q16637 6/20 0.50
LMNA P02545 5/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
HTT P42858 2/20 0.47
TP53 P04637 2/20 0.47
POLB P06746 1/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
MAPT P10636 3/20 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
SCHEMBL10119696 0.80 MMP2 (0.44) ADORA3RXFP1NPC1RAB9AMEN1
SCHEMBL14265882 0.79 ADORA3 (0.52) ADORA3RXFP1NPC1RAB9AMEN1
SCHEMBL15393176 0.75 L3MBTL1 (0.48) ADORA3RXFP1NPC1RAB9AMEN1
SCHEMBL10119744 0.74 ADORA3 (0.58) ADORA3RXFP1NPC1RAB9AMEN1
SCHEMBL11291026 0.74 RAB9A (0.48) ADORA3NPC1RAB9AMEN1KMT2A
SCHEMBL9852227 0.73 NPC1 (0.66) ADORA3RXFP1NPC1RAB9AMEN1
SCHEMBL10138490 0.72 NR1H3 (0.53) ADORA3NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL633339 0.72 MEN1 (0.61) ADORA3RXFP1NPC1RAB9AMEN1
SCHEMBL28406599 0.70 CYP19A1 (0.58) ADORA3RXFP1NPC1RAB9AMEN1
SCHEMBL28400538 0.70 CYP19A1 (0.58) ADORA3RXFP1NPC1RAB9AMEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120046324-A1 SMALL MOLECULE INHIBITORS OF KYNURENINE-3-MONOOXYGENASE THE J. DAVID GLADSTONE INSTITUTES, A TESTAMENTARY TRUST ESTABLISHED 2012-02-23 US disclosed
US-20080070937-A1 SMALL MOLECULE INHIBITORS OF KYNURENINE-3-MONOOXYGENASE J. DAVID GLADSTONE INSTITUTES 2008-03-20 US 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 (2 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-20080070937-A1 SMALL MOLECULE INHIBITORS OF KYNURENINE-3-MONOOXYGENASE KMO, KYNU, TDO2 ADORA3 486/4885RXFP1 2634/4885NPC1 3651/4885
US-20120046324-A1 SMALL MOLECULE INHIBITORS OF KYNURENINE-3-MONOOXYGENASE KMO, KYNU, TDO2 ADORA3 486/4885RXFP1 2634/4885NPC1 3651/4885

“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.