SCHEMBL2565719

SCHEMBL2565719

CNC(=O)c1cccc(SC2CCCC2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.46
L3MBTL3 Q96JM7 1/20 0.46
SCN9A Q15858 1/20 0.44
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
ADCY1 Q08828 1/20 0.43
KDM4E B2RXH2 1/20 0.41
GFER P55789 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 1/20 0.41
FAAH O00519 2/20 0.41
POLB P06746 1/20 0.40
GRIK1 P39086 1/20 0.39
GRIA2 P42262 1/20 0.39
OPRM1 P35372 1/20 0.39
OPRK1 P41145 1/20 0.39

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
SCHEMBL2792773 0.83 ALDH1A1 (0.49) NPC1KMT2AMEN1SMN1; SMN2GRIK1
SCHEMBL2565423 0.82 HPGD (0.53) L3MBTL1NPC1RAB9AKMT2AKDM4E
SCHEMBL2568668 0.81 HPGD (0.58) L3MBTL3KMT2AMEN1KDM4EHSD17B10
SCHEMBL14573366 0.81 OPRM1 (0.50) HDAC8HDAC6L3MBTL1L3MBTL3SCN9A
SCHEMBL5316486 0.81 HPGD (0.55) L3MBTL1NPC1RAB9AKMT2AKDM4E
SCHEMBL6484438 0.80 HPGD (0.56) RAB9AKMT2AMEN1KDM4ESMN1; SMN2
SCHEMBL28188078 0.80 OPRM1 (0.56) HDAC6HSD17B10FAAHGRIK1GRIA2
SCHEMBL28188608 0.79 OPRM1 (0.55) HDAC6FAAHGRIK1GRIA2OPRM1
SCHEMBL5317296 0.78 ATM (0.50) L3MBTL1NPC1RAB9ASMN1; SMN2HSD17B10
SCHEMBL15217740 0.77 HDAC8 (0.61) HDAC8HDAC6L3MBTL1L3MBTL3KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2381967-A1 SYNTHESIS OF 18F-RADIOLABELED STYRYLPYRIDINES FROM TOSYLATE PRECURSORS AND STABLE PHARMACEUTICAL COMPOSITIONS THEREOF Avid Radiopharmaceuticals, Inc. (US) 2011-11-02 EP disclosed
EP-2013183-B1 DERIVATIVES OF 4-(2-AMINO-1-HYDROXIETHYL)PHENOL AS AGONISTS OF THE BETA2 ADRENERGIC RECEPTOR ALMIRALL SA (ES) 2011-11-02 EP disclosed
WO-2010078370-A1 SYNTHESIS OF 18F-RADIOLABELED STYRYLPYRIDINES FROM TOSYLATE PRECURSORS AND STABLE PHARMACEUTICAL COMPOSITIONS THEREOF AVID RADIOPHARMACEUTICALS, INC. (US) 2010-07-08 WO disclosed
US-20090082378-A1 DERIVATIVES OF 4-(2-AMINO-1-HYDROXIETHYL)PHENOL AS AGONISTS OF THE B2 ADRENERGIC RECEPTOR LABORATORIOS ALMIRALL, S.A. (ES) 2009-03-26 US disclosed
EP-2013183-A1 DERIVATIVES OF 4-(2-AMINO-1-HYDROXIETHYL)PHENOL AS AGONISTS OF THE BETA2 ADRENERGIC RECEPTOR Laboratorios Almirall, S.A. (ES) 2009-01-14 EP disclosed
WO-2007124898-A1 DERIVATIVES OF 4-(2-AMINO-1-HYDROXIETHYL)PHENOL AS AGONISTS OF THE β2 ADRENERGIC RECEPTOR LABORATORIOS, ALMIRALL S.A. (ES) 2007-11-08 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-20090082378-A1 DERIVATIVES OF 4-(2-AMINO-1-HYDROXIETHYL)PHENOL AS AGONISTS OF THE B2 ADRENERGIC RECEPTOR ADRB2, ADRA2C, ADRB1 HDAC8 3240/4885HDAC6 3894/4885L3MBTL1 4420/4885

“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.