SCHEMBL1787656

SCHEMBL1787656

NC(=O)c1ccc(-c2csc(CNCCc3cccs3)c2)cc1.NC(=O)c1ccc(Br)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.44
OPRD1 P41143 1/20 0.44
OPRK1 P41145 1/20 0.44
SMN1; SMN2 Q16637 5/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
POLB P06746 2/20 0.41
LMNA P02545 4/20 0.41
RAB9A P51151 5/20 0.39
NPC1 O15118 4/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
RECQL P46063 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HDAC1 Q13547 2/20 0.37

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
SCHEMBL12651250 0.95 OPRM1 (0.48) OPRM1OPRD1OPRK1SMN1; SMN2L3MBTL1
Trifluoroacetic Acid SCHEMBL3339989 0.88 OPRM1 (0.43) OPRM1OPRD1OPRK1SMN1; SMN2L3MBTL1
SCHEMBL1785224 0.83 OPRM1 (0.42) OPRM1OPRD1OPRK1SMN1; SMN2L3MBTL1
SCHEMBL1790026 0.82 OPRM1 (0.44) OPRM1OPRD1OPRK1MEN1KMT2A
SCHEMBL12607760 0.77 OPRM1 (0.46) OPRM1OPRD1OPRK1SMN1; SMN2L3MBTL1
SCHEMBL12651453 0.77 LMNA (0.50) SMN1; SMN2L3MBTL1POLBLMNARAB9A
SCHEMBL12607764 0.76 OPRM1 (0.47) OPRM1OPRD1OPRK1MEN1KMT2A
Trifluoroacetic Acid SCHEMBL1787276 0.75 HDAC1 (0.37) OPRM1OPRD1OPRK1SMN1; SMN2RAB9A
SCHEMBL3339991 0.75 MEN1 (0.44) SMN1; SMN2L3MBTL1POLBLMNARAB9A
SCHEMBL12651151 0.74 HDAC1 (0.42) OPRM1OPRD1OPRK1SMN1; SMN2LMNA

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-8633175-B2 Compounds as antagonists or inverse agonists at opioid receptors GLAXOSMITHKLINE LLC (US) 2014-01-21 US disclosed
US-20110124559-A1 NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS AT OPIOID RECEPTORS SMITHKLINE BEECHAM CORPORATION (US) 2011-05-26 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 (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-20110124559-A1 NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS AT OPIOID RECEPTORS OPRL1, OPRM1, OPRK1 OPRM1 2/4885OPRD1 4/4885OPRK1 3/4885

“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.