SCHEMBL162433

SCHEMBL162433

O=C(Nc1ccccc1)Nc1ccc(-c2cnc(C3CCC(C(=O)O)CC3)o2)cc1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.57
KMT2A Q03164 3/20 0.55
CYP2C9 P11712 1/20 0.54
HDAC4 P56524 1/20 0.54
DGAT1 O75907 3/20 0.52
LMNA P02545 5/20 0.49
TP53 P04637 4/20 0.49
NR2F2 P24468 1/20 0.48
RAB9A P51151 1/20 0.48
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47
MAPT P10636 3/20 0.45
PAX8 Q06710 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
SCHEMBL161754 0.91 DGAT1 (0.57) NPC1KMT2ACYP2C9HDAC4DGAT1
SCHEMBL161648 0.90 KMT2A (0.49) NPC1KMT2ACYP2C9HDAC4DGAT1
SCHEMBL163647 0.89 KMT2A (0.54) NPC1KMT2ACYP2C9HDAC4LMNA
SCHEMBL165013 0.87 DGAT1 (0.59) NPC1KMT2ACYP2C9HDAC4DGAT1
SCHEMBL437870 0.87 CYP2C9 (0.58) NPC1KMT2ACYP2C9HDAC4LMNA
SCHEMBL406907 0.87 CYP2C9 (0.58) NPC1KMT2ACYP2C9HDAC4LMNA
SCHEMBL162087 0.85 SMO (0.64) NPC1KMT2ACYP2C9HDAC4LMNA
SCHEMBL173260 0.83 TP53 (0.52) NPC1KMT2ACYP2C9HDAC4DGAT1
SCHEMBL164685 0.80 KMT2A (0.52) NPC1KMT2ACYP2C9HDAC4LMNA
SCHEMBL162572 0.80 LMNA (0.49) NPC1KMT2ACYP2C9HDAC4DGAT1

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 NPC1 86/4885KMT2A 2187/4885CYP2C9 789/4885

“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.