SCHEMBL162291

SCHEMBL162291

COC(=O)CC(C)(C)Cc1ncc(-c2ccc([N+](=O)[O-])cc2)s1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.43
RECQL P46063 1/20 0.43
RAB9A P51151 2/20 0.42
NPC1 O15118 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CYP2C19 P33261 1/20 0.42
APP P05067 2/20 0.41
ALDH1A1 P00352 2/20 0.41
THRB P10828 1/20 0.41
HPGD P15428 1/20 0.41
MAPT P10636 3/20 0.39
PTGS2 P35354 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CSNK2A2 P19784 2/20 0.38
CSNK2B P67870 2/20 0.38
CSNK2A1 P68400 2/20 0.38
SGK1 O00141 1/20 0.38
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL162470 0.85 ERCC5 (0.39) RAB9ANPC1SMN1; SMN2APPALDH1A1
SCHEMBL162417 0.84 RECQL (0.49) XDHRECQLRAB9ANPC1SMN1; SMN2
SCHEMBL162946 0.82 XDH (0.46) XDHRECQLRAB9ACYP2C19APP
SCHEMBL161360 0.80 XDH (0.44) XDHRECQLCYP2C19APPALDH1A1
SCHEMBL27912066 0.79 XDH (0.45) XDHRECQLRAB9ANPC1SMN1; SMN2
SCHEMBL162847 0.78 CYP2C19 (0.47) XDHRECQLRAB9ANPC1SMN1; SMN2
SCHEMBL161347 0.76 DGAT1 (0.54) SMN1; SMN2MAPT
SCHEMBL27930210 0.76 XDH (0.43) XDHRECQLRAB9ANPC1SMN1; SMN2
SCHEMBL27930207 0.76 PDPK1 (0.55) XDHRECQLRAB9ANPC1SMN1; SMN2
SCHEMBL163569 0.76 PTPN1 (0.48) SMN1; SMN2CSNK2A2CSNK2A1POLB

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 3 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 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 XDH 863/4885RECQL 3487/4885RAB9A 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.