SCHEMBL162295

SCHEMBL162295

COC(=O)CCCc1nnc(-c2ccc([N+](=O)[O-])cc2)s1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A2 P19784 3/20 0.53
CSNK2B P67870 3/20 0.53
CSNK2A1 P68400 3/20 0.53
MAPT P10636 4/20 0.51
HDAC1 Q13547 2/20 0.51
HDAC2 Q92769 1/20 0.51
CYP1A2 P05177 1/20 0.51
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
MGAM O43451 1/20 0.47
GAA P10253 1/20 0.47
SI P14410 1/20 0.47
MGAM2 Q2M2H8 1/20 0.47
LMNA P02545 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.45
AMY1A P0DUB6 1/20 0.43
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42

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
SCHEMBL8879960 0.85 CSNK2A2 (0.57) CSNK2A2CSNK2BCSNK2A1MAPTHDAC1
SCHEMBL161099 0.83 GLS (0.46) CSNK2A2CSNK2A1MAPTHDAC1HDAC2
SCHEMBL17978505 0.82 MGAM (0.56) CSNK2A2CSNK2BCSNK2A1MAPTHDAC1
SCHEMBL161360 0.81 XDH (0.44) CSNK2A2CSNK2BCSNK2A1MAPTHDAC1
SCHEMBL1350599 0.78 MAPT (0.55) MAPTMEN1KMT2AALDH1A1RAB9A
SCHEMBL159199 0.77 MEN1 (0.52) MAPTHDAC1HDAC2MEN1KMT2A
SCHEMBL16817718 0.76 CSNK2A2 (0.64) CSNK2A2CSNK2BCSNK2A1MAPTHDAC1
SCHEMBL27930311 0.75 CSNK2A2 (0.51) CSNK2A2CSNK2BCSNK2A1MAPTHDAC1
SCHEMBL8880665 0.75 MGAM (0.56) CSNK2A2CSNK2BCSNK2A1MAPTHDAC1
SCHEMBL162484 0.74 HDAC8 (0.56) MAPTHDAC1MEN1KMT2ALMNA

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 CSNK2A2 2204/4885CSNK2B 2840/4885CSNK2A1 1986/4885

“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.