SCHEMBL164623

SCHEMBL164623

COC(=O)CCCc1nnc(-c2ccc(NC(=O)Nc3cccc(C)c3)cc2)o1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.54
DDX3X O00571 1/20 0.50
KDR P35968 4/20 0.47
PDGFRB P09619 2/20 0.47
IMPDH2 P12268 3/20 0.47
SAE1 Q9UBE0 1/20 0.46
UBA2 Q9UBT2 1/20 0.46
SENP1 Q9P0U3 1/20 0.46
FBP1 P09467 2/20 0.46
MAPT P10636 2/20 0.45
ALDH1A1 P00352 1/20 0.45
FLT3 P36888 2/20 0.45
KIT P10721 1/20 0.45
KMT2A Q03164 3/20 0.45
PKM P14618 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
RAB9A P51151 2/20 0.44
NPC1 O15118 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
CSF1R P07333 1/20 0.43

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
SCHEMBL160332 0.90 KDM4E (0.59) KDM4EDDX3XKDRIMPDH2SAE1
SCHEMBL163898 0.87 DDX3X (0.56) DDX3XKDRPDGFRBMAPTFLT3
SCHEMBL157991 0.82 DDX3X (0.58) KDM4EDDX3XKDRMAPTALDH1A1
SCHEMBL162028 0.80 DDX3X (0.52) KDM4EDDX3XMAPTALDH1A1SMN1; SMN2
SCHEMBL159777 0.76 NR1H4 (0.47) KDM4EMAPTALDH1A1KMT2ASMN1; SMN2
SCHEMBL165221 0.76 DDX3X (0.56) DDX3XKDRPDGFRBMAPTFLT3
SCHEMBL162484 0.73 HDAC8 (0.56) MAPTALDH1A1KMT2APKMRAB9A
SCHEMBL562313 0.71 ALDH1A1 (0.62) KDM4EMAPTALDH1A1KMT2APKM
SCHEMBL165680 0.70 DDX3X (0.59) KDM4EDDX3XMAPTALDH1A1KMT2A
SCHEMBL158798 0.69 SMN1; SMN2 (0.56) KDM4EDDX3XMAPTALDH1A1KMT2A

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 KDM4E 4508/4885DDX3X 3177/4885KDR 4203/4885

“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.