SCHEMBL160421

SCHEMBL160421

CC(C)(CCc1ncc(-c2ccc(NC(=O)c3nc(-c4ccccc4)cs3)cc2)s1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1H4 Q96RI1 1/20 0.50
▸ MEN1 O00255 9/20 0.45
▸ KMT2A Q03164 9/20 0.45
▸ NFKB1 P19838 2/20 0.45
▸ NFKB2 Q00653 2/20 0.45
▸ RELA Q04206 2/20 0.45
▸ NPC1 O15118 7/20 0.42
▸ RAB9A P51151 7/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ MAPT P10636 6/20 0.41
▸ KDM4E B2RXH2 5/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ HPGD P15428 3/20 0.41
▸ STAT1 P42224 3/20 0.41
▸ GFER P55789 1/20 0.41
▸ SMO Q99835 2/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ TP53 P04637 2/20 0.40
▸ ENPP2 Q13822 1/20 0.40

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
SCHEMBL162321 0.92 NR1H4 (0.48) NR1H4MEN1KMT2ANFKB1NFKB2
SCHEMBL162514 0.84 DGAT1 (0.48) NR1H4SMN1; SMN2POLB
SCHEMBL161164 0.78 DGAT1 (0.58) NR1H4
SCHEMBL27912034 0.77 GSTO1 (0.40) MEN1KMT2ANFKB1NFKB2RELA
SCHEMBL161969 0.77 NAMPT (0.53) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL161659 0.76 PTPN1 (0.48) —
SCHEMBL160829 0.75 DGAT1 (0.57) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL160057 0.75 DGAT1 (0.54) MEN1KMT2ANFKB1NFKB2RELA
SCHEMBL174042 0.75 CNR1 (0.43) MEN1KMT2ANPC1RAB9A
SCHEMBL162024 0.74 MAPT (0.46) MEN1KMT2ANPC1RAB9ASMN1; SMN2

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 7 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
CN-103228633-A Heterocyclic compounds as DGAT1 inhibitors PIRAMAL LIFE SCIENCES LTD 2013-07-31 — — CN disclosed
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 NR1H4 445/4885MEN1 2803/4885KMT2A 2187/4885

“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.

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