SCHEMBL2294787

SCHEMBL2294787

COC(=O)C1CCCN1C(=S)c1cc(-c2cccc(Nc3nc4ccc(F)cc4s3)c2)no1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 9/20 0.40
HCRTR2 O43614 5/20 0.40
CLK1 P49759 1/20 0.39
SMN1; SMN2 Q16637 5/20 0.39
RAB9A P51151 4/20 0.39
MAPT P10636 3/20 0.39
GAA P10253 3/20 0.39
NPC1 O15118 3/20 0.39
LMNA P02545 2/20 0.39
MEN1 O00255 2/20 0.39
HTT P42858 2/20 0.39
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 1/20 0.39
TNF P01375 1/20 0.39
HPGD P15428 1/20 0.39
NR2F2 P24468 1/20 0.39
MCL1 Q07820 1/20 0.39
KLF5 Q13887 1/20 0.39
NOD1 Q9Y239 1/20 0.39
LCK P06239 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
SCHEMBL2294778 1.00 HCRTR1 (0.40) HCRTR1HCRTR2CLK1SMN1; SMN2RAB9A
SCHEMBL2296652 0.93 LMNA (0.42) HCRTR1HCRTR2CLK1SMN1; SMN2RAB9A
SCHEMBL2296648 0.93 LMNA (0.42) HCRTR1HCRTR2CLK1SMN1; SMN2RAB9A
SCHEMBL2297206 0.92 RAB9A (0.43) HCRTR1HCRTR2CLK1SMN1; SMN2RAB9A
SCHEMBL2297191 0.92 RAB9A (0.43) HCRTR1HCRTR2CLK1SMN1; SMN2RAB9A
SCHEMBL2296296 0.85 NPC1 (0.44) HCRTR1CLK1SMN1; SMN2RAB9AMAPT
SCHEMBL2299738 0.85 DGAT1 (0.42) HCRTR1HCRTR2CLK1SMN1; SMN2RAB9A
SCHEMBL2299735 0.85 DGAT1 (0.42) HCRTR1HCRTR2CLK1SMN1; SMN2RAB9A
SCHEMBL2296320 0.85 NPC1 (0.44) HCRTR1CLK1SMN1; SMN2RAB9AMAPT
SCHEMBL3238914 0.82 SMN1; SMN2 (0.38) HCRTR1HCRTR2SMN1; SMN2RAB9AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8835428-B2 Diacylglycerol acyltransferase inhibitors Piramal Enterprises Limited (IN) 2014-09-16 US claimed
US-20110196002-A1 DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS PIRAMAL LIFE SCIENCES LIMITED. 2011-08-11 US claimed
US-8835428-B2 Diacylglycerol acyltransferase inhibitors Piramal Enterprises Limited (IN) 2014-09-16 US disclosed
US-20110196002-A1 DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS PIRAMAL LIFE SCIENCES LIMITED. 2011-08-11 US disclosed
WO-2010023609-A1 OXAZOLE, OXADIAZOLE AND THIAZOLE DERIVATIVES AS DIACYLGLYCEROL ACYLTRANFERASE INHIBITORS PIRAMAL LIFE SCIENCES LIMITED (IN) 2010-03-04 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-20110196002-A1 DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS DGAT1, DGAT2, DLAT HCRTR1 2450/4885HCRTR2 1552/4885CLK1 2570/4885

“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.