SCHEMBL173548

SCHEMBL173548

COC(=O)CCCC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.85

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.85
ALDH1A1 P00352 8/20 0.70
KMT2A Q03164 6/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
KDM4E B2RXH2 1/20 0.59
LMNA P02545 3/20 0.57
CRHBP P24387 1/20 0.57
CRHR2 Q13324 1/20 0.57
MEN1 O00255 4/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
CYP1A2 P05177 1/20 0.56
ATM Q13315 1/20 0.56
POLB P06746 3/20 0.54
HDAC3 O15379 1/20 0.53
HDAC1 Q13547 1/20 0.53
HDAC2 Q92769 1/20 0.53
TDP1 Q9NUW8 1/20 0.51

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
SCHEMBL8879368 0.86 MAPT (0.80) MAPTALDH1A1KMT2ALMNAMEN1
SCHEMBL10610310 0.85 ALDH1A1 (0.90) MAPTALDH1A1KMT2ASMN1; SMN2KDM4E
SCHEMBL4329053 0.85 MAPT (0.62) MAPTALDH1A1KMT2ASMN1; SMN2KDM4E
SCHEMBL162760 0.81 MAPT (0.56) MAPTALDH1A1KMT2ASMN1; SMN2KDM4E
SCHEMBL1232875 0.79 HDAC1 (0.70) MAPTALDH1A1KMT2ASMN1; SMN2MEN1
SCHEMBL28007431 0.78 MAPT (0.76) MAPTALDH1A1KMT2ASMN1; SMN2KDM4E
SCHEMBL28723007 0.78 MEN1 (0.82) MAPTALDH1A1KMT2ACRHBPCRHR2
SCHEMBL27819929 0.77 BCL9 (0.58) MAPTALDH1A1KMT2ASMN1; SMN2KDM4E
SCHEMBL4923799 0.76 ALDH1A1 (0.78) MAPTALDH1A1KMT2ASMN1; SMN2LMNA
SCHEMBL6769441 0.76 MAPT (0.68) MAPTALDH1A1KMT2ALMNAMEN1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 MAPT 137/4885ALDH1A1 369/4885KMT2A 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.