SCHEMBL2179898

SCHEMBL2179898

O=C(Nc1ccc(-c2ccc3c(c2)C(=O)N(C2(C(=O)O)CCCC2)C3)cc1)c1ccc(Cl)cc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 3/20 0.46
TMPRSS2 O15393 1/20 0.46
MCHR1 Q99705 7/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
XDH P47989 1/20 0.40
DGAT1 O75907 3/20 0.39
HTR2C P28335 1/20 0.39
ABCB1 P08183 1/20 0.39
STING1 Q86WV6 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
SCHEMBL2178864 0.98 SLC2A1 (0.46) SLC2A1TMPRSS2MCHR1NPC1RAB9A
SCHEMBL2178666 0.96 SLC2A1 (0.47) SLC2A1TMPRSS2MCHR1NPC1RAB9A
SCHEMBL13719194 0.92 CREBBP (0.45) TMPRSS2MCHR1NPC1RAB9AHTT
SCHEMBL13719083 0.90 CREBBP (0.45) TMPRSS2MCHR1NPC1RAB9AHTT
SCHEMBL2179848 0.90 ABCB1 (0.43) SLC2A1TMPRSS2MCHR1ABCB1
SCHEMBL2202230 0.89 JAK2 (0.38) SLC2A1DGAT1
SCHEMBL2184969 0.89 MEN1 (0.45) NPC1RAB9AMEN1LMNAMAPT
SCHEMBL2179542 0.89 NPC1 (0.47) TMPRSS2MCHR1NPC1RAB9AMEN1
SCHEMBL13719080 0.88 DEGS1 (0.46) TMPRSS2MEN1MAPTMAPK1KMT2A
SCHEMBL13718913 0.88 ABCB1 (0.43) SLC2A1TMPRSS2MCHR1ABCB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8748426-B2 Inhibitors of diacylglycerol acyl transferase Piramal Enterprises Limited (IN) 2014-06-10 US claimed
US-20120289505-A1 INHIBITORS OF DIACYLGLYCEROL ACYL TRANSFERASE Piramal Enterprises Limited (IN) 2012-11-15 US claimed
EP-2519500-A1 INHIBITORS OF DIACYLGLYCEROL ACYL TRANSFERASE Piramal Healthcare Ltd. (IN) 2012-11-07 EP claimed
WO-2011080718-A1 INHIBITORS OF DIACYLGLYCEROL ACYL TRANSFERASE PIRAMAL LIFE SCIENCES LIMITED (IN) 2011-07-07 WO claimed
US-8748426-B2 Inhibitors of diacylglycerol acyl transferase Piramal Enterprises Limited (IN) 2014-06-10 US disclosed
US-20120289505-A1 INHIBITORS OF DIACYLGLYCEROL ACYL TRANSFERASE Piramal Enterprises Limited (IN) 2012-11-15 US disclosed
EP-2519500-A1 INHIBITORS OF DIACYLGLYCEROL ACYL TRANSFERASE Piramal Healthcare Ltd. (IN) 2012-11-07 EP disclosed
WO-2011080718-A1 INHIBITORS OF DIACYLGLYCEROL ACYL TRANSFERASE PIRAMAL LIFE SCIENCES LIMITED (IN) 2011-07-07 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-20120289505-A1 INHIBITORS OF DIACYLGLYCEROL ACYL TRANSFERASE DGAT1, DGAT2, LCAT SLC2A1 464/4885TMPRSS2 1617/4885MCHR1 4705/4885

“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.