SCHEMBL2178399

SCHEMBL2178399

CC(C)C(C(=O)O)N1Cc2ccc(-c3ccc(NC(=O)c4cccc(F)c4)cc3)cc2C1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.47
RAB9A P51151 4/20 0.47
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
LMNA P02545 2/20 0.45
THRB P10828 1/20 0.45
SMN1; SMN2 Q16637 4/20 0.44
NFKB1 P19838 1/20 0.44
HTT P42858 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
TP53 P04637 3/20 0.44
MAPT P10636 1/20 0.44
TSHR P16473 1/20 0.44
ABCB1 P08183 1/20 0.43
ALDH1A1 P00352 1/20 0.43
GLA P06280 1/20 0.43
PKM P14618 1/20 0.43
EGFR P00533 2/20 0.42
MAPK14 Q16539 2/20 0.42

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
SCHEMBL2178388 1.00 NPC1 (0.47) NPC1RAB9AKMT2AMEN1LMNA
SCHEMBL2180073 0.93 NPC1 (0.47) NPC1RAB9AKMT2AMEN1LMNA
SCHEMBL2179012 0.93 NPC1 (0.47) NPC1RAB9AKMT2AMEN1LMNA
SCHEMBL2179321 0.91 LMNA (0.49) KMT2AMEN1LMNATHRBTP53
SCHEMBL2179317 0.91 LMNA (0.49) KMT2AMEN1LMNATHRBTP53
SCHEMBL2180600 0.90 PTPN1 (0.48) NPC1RAB9AKMT2AMEN1LMNA
SCHEMBL2180583 0.90 PTPN1 (0.48) NPC1RAB9AKMT2AMEN1LMNA
SCHEMBL2177018 0.89 ACHE (0.46) NPC1RAB9AKMT2AMEN1LMNA
SCHEMBL2177024 0.89 ACHE (0.46) NPC1RAB9AKMT2AMEN1LMNA
SCHEMBL2180962 0.89 LMNA (0.44) LMNATHRBTP53SDCBPSDC2

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 NPC1 158/4885RAB9A 2039/4885KMT2A 1705/4885

“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.