SCHEMBL3658372

SCHEMBL3658372

N[C@@H](C(=O)c1ccccc1)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.61
L3MBTL1 Q9Y468 2/20 0.61
LMNA P02545 3/20 0.59
CES2 O00748 2/20 0.59
CES1 P23141 2/20 0.59
ALDH1A1 P00352 3/20 0.48
CYP3A4 P08684 2/20 0.48
TSHR P16473 2/20 0.46
POLB P06746 1/20 0.46
PARP1 P09874 1/20 0.46
MAPT P10636 1/20 0.46
CYP2C19 P33261 1/20 0.46
RECQL P46063 1/20 0.46
BLM P54132 1/20 0.46
PMP22 Q01453 1/20 0.46
HSD17B10 Q99714 1/20 0.46
MDM2 Q00987 1/20 0.45
CYP2D6 P10635 1/20 0.44
SRC P12931 1/20 0.44
DPP4 P27487 2/20 0.44

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
SCHEMBL4919231 1.00 TDP1 (0.61) TDP1L3MBTL1LMNACES2CES1
Hydrochloric Acid SCHEMBL9150834 0.98 TDP1 (0.59) TDP1L3MBTL1LMNACES2CES1
Chlorobenzene SCHEMBL27608976 0.90 TDP1 (0.52) TDP1L3MBTL1LMNACES2CES1
SCHEMBL11205532 0.89 TDP1 (0.54) TDP1L3MBTL1LMNACES2CES1
SCHEMBL8805626 0.86 NPC1 (0.50) TDP1L3MBTL1LMNACES2CES1
SCHEMBL6205111 0.86 CES2 (0.52) TDP1L3MBTL1LMNACES2CES1
Hydrochloric Acid SCHEMBL4015538 0.85 CES2 (0.50) TDP1L3MBTL1LMNACES2CES1
Hydrochloric Acid SCHEMBL4329394 0.85 NPC1 (0.49) TDP1L3MBTL1LMNACES2CES1
SCHEMBL3320904 0.82 MEN1 (0.54) TDP1L3MBTL1LMNACES2CES1
SCHEMBL6203223 0.82 ALDH1A1 (0.55) TDP1LMNAALDH1A1CYP3A4CYP2C19

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-2205595-B1 OXADIAZOLE- AND OXAZOLE-SUBSTITUTED BENZIMIDAZOLE- AND INDOLE-DERIVATIVES AS DGAT1 INHIBITORS NOVARTIS AG (CH) 2014-09-10 EP disclosed
US-8217065-B2 Organic compounds NOVARTIS AG (SE) 2012-07-10 US disclosed
EP-2205595-A1 OXADIAZOLE- AND OXAZOLE-SUBSTITUTED BENZIMIDAZOLE- AND INDOLE-DERIVATIVES AS DGAT1 INHIBITORS Novartis Ag (CH) 2010-07-14 EP disclosed
WO-2009112445-A1 METHOD OF INCREASING CELLULAR PHOSPHATIDYL CHOLINE BY DGAT1 INHIBITION NOVARTIS AG (CH) 2009-09-17 WO disclosed
US-20090186891-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-07-23 US disclosed
WO-2009040410-A1 OXADIAZOLE- AND OXAZOLE-SUBSTITUTED BENZIMIDAZOLE- AND INDOLE-DERIVATIVES AS DGAT1 INHIBITORS NOVARTIS AG (CH) 2009-04-02 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-20090186891-A1 ORGANIC COMPOUNDS DGAT1, DGAT2, SOAT1 TDP1 773/4885L3MBTL1 151/4885LMNA 1632/4885

“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.