SCHEMBL161648

SCHEMBL161648

O=C(Nc1ccc(-c2cnc(C3CCC(C(=O)O)CC3)o2)cc1)Nc1cccc(Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.49
NPC1 O15118 3/20 0.49
RAB9A P51151 2/20 0.49
NR2F2 P24468 1/20 0.49
DGAT1 O75907 3/20 0.49
LMNA P02545 6/20 0.47
MAPT P10636 3/20 0.47
MEN1 O00255 2/20 0.47
HTT P42858 2/20 0.47
MAOB P27338 1/20 0.47
CYP2C9 P11712 1/20 0.46
HDAC4 P56524 1/20 0.46
TP53 P04637 2/20 0.45
KDR P35968 2/20 0.45
EGFR P00533 1/20 0.45
IGF1R P08069 1/20 0.45
MET P08581 1/20 0.45
PDGFRB P09619 1/20 0.45
KIT P10721 1/20 0.45
FGFR1 P11362 1/20 0.45

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
SCHEMBL162433 0.90 NPC1 (0.57) KMT2ANPC1RAB9ANR2F2DGAT1
SCHEMBL161847 0.90 NPC1 (0.49) KMT2ANPC1RAB9ANR2F2DGAT1
SCHEMBL161754 0.85 DGAT1 (0.57) KMT2ANPC1RAB9ADGAT1LMNA
SCHEMBL162837 0.81 DGAT1 (0.52) KMT2ANPC1RAB9ADGAT1LMNA
SCHEMBL162490 0.81 DGAT1 (0.52) KMT2ANPC1RAB9ADGAT1LMNA
SCHEMBL162087 0.80 SMO (0.64) KMT2ANPC1LMNACYP2C9HDAC4
SCHEMBL163647 0.80 KMT2A (0.54) KMT2ANPC1RAB9ANR2F2LMNA
SCHEMBL161374 0.80 DGAT1 (0.58) KMT2ANPC1RAB9ADGAT1LMNA
SCHEMBL165013 0.79 DGAT1 (0.59) KMT2ANPC1RAB9ADGAT1LMNA
SCHEMBL173260 0.78 TP53 (0.52) KMT2ANPC1RAB9ANR2F2DGAT1

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-2611783-A2 HETEROCYCLIC COMPOUNDS AS DGAT1 INHIBITORS Piramal Enterprises Limited (IN) 2013-07-10 EP claimed
US-20130158075-A1 HETEROCYCLIC COMPOUNDS AS DGAT1 INHIBITORS Piramal Enterprises Limited (IN) 2013-06-20 US claimed
WO-2012029032-A2 HETEROCYCLIC COMPOUNDS AS DGAT1 INHIBITORS PIRAMAL LIFE SCIENCES LIMITED (IN) 2012-03-08 WO claimed
EP-2611783-A2 HETEROCYCLIC COMPOUNDS AS DGAT1 INHIBITORS Piramal Enterprises Limited (IN) 2013-07-10 EP disclosed
US-20130158075-A1 HETEROCYCLIC COMPOUNDS AS DGAT1 INHIBITORS Piramal Enterprises Limited (IN) 2013-06-20 US disclosed
WO-2012029032-A2 HETEROCYCLIC COMPOUNDS AS DGAT1 INHIBITORS PIRAMAL LIFE SCIENCES LIMITED (IN) 2012-03-08 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-20130158075-A1 HETEROCYCLIC COMPOUNDS AS DGAT1 INHIBITORS DGAT1, DGAT2, SOAT1 KMT2A 2187/4885NPC1 86/4885RAB9A 1781/4885

“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.