SCHEMBL2318700

SCHEMBL2318700

CC(C)(NC(=O)CC1CCCC1)C(=O)Nc1nc(-c2ccccc2)c(-c2ccccc2)s1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
XIAP P98170 3/20 0.47
KDM4E B2RXH2 4/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
ALDH1A1 P00352 3/20 0.46
LMNA P02545 3/20 0.46
HPGD P15428 3/20 0.46
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
MAPT P10636 3/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
PTGS2 P35354 3/20 0.46
RORC P51449 2/20 0.46
ADORA2A P29274 4/20 0.43
ADORA1 P30542 4/20 0.43
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 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
SCHEMBL2317625 0.89 ADORA3 (0.53) SMN1; SMN2ALDH1A1LMNAKMT2AMEN1
SCHEMBL2315053 0.87 RORC (0.49) XIAPKDM4ESMN1; SMN2ALDH1A1LMNA
SCHEMBL2315011 0.85 ADORA2A (0.53) XIAPKDM4ESMN1; SMN2ALDH1A1LMNA
SCHEMBL2316516 0.81 XIAP (0.57) XIAPKDM4ESMN1; SMN2ALDH1A1LMNA
SCHEMBL27982784 0.78 LMNA (0.45) KDM4ESMN1; SMN2ALDH1A1LMNAKMT2A
SCHEMBL2490939 0.77 RORC (0.41) KDM4ESMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL2316563 0.77 ALDH1A1 (0.54) XIAPKDM4ESMN1; SMN2ALDH1A1LMNA
SCHEMBL2754021 0.77 XIAP (0.64) XIAPKDM4ESMN1; SMN2ALDH1A1LMNA
SCHEMBL27711329 0.76 SMN1; SMN2 (0.51) KDM4ESMN1; SMN2ALDH1A1LMNAHPGD
SCHEMBL3176221 0.75 XIAP (0.66) XIAPKDM4ESMN1; SMN2ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8703761-B2 Organic compounds NOVARTIS AG (CH) 2014-04-22 US disclosed
EP-2559455-A1 Heteroaryl derivatives as DGAT1 inhibitors Novartis AG (CH) 2013-02-20 EP disclosed
EP-2548618-A2 Organic compounds Novartis AG (CH) 2013-01-23 EP disclosed
EP-2380631-A1 Heteroaryl derivatives as DGAT1 inhibitors Novartis AG (CH) 2011-10-26 EP disclosed
EP-2380631-A1 Heteroaryl derivatives as DGAT1 inhibitors Novartis AG (CH) 2011-10-26 EP disclosed
EP-2349484-A2 HETEROARYL DERIVATIVES AS DGAT1 INHIBITORS Novartis AG (CH) 2011-08-03 EP disclosed
CN-102119047-A Heteroaryl derivatives as DGAT1 inhibitors NOVARTIS AG 2011-07-06 CN disclosed
US-20100022513-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-01-28 US disclosed
WO-2010007046-A2 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-01-21 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-20100022513-A1 ORGANIC COMPOUNDS DGAT1, DGAT2, SOAT1 XIAP 3405/4885KDM4E 2341/4885SMN1; SMN2 4241/4885

“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.