SCHEMBL16740429

SCHEMBL16740429

CCOC(=O)c1c(C2CC2)cn(COCC[Si](C)(C)C)c1C(O)c1ccc(Cl)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 4/20 0.39
KDM4E B2RXH2 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
ALOX12 P18054 3/20 0.34
ALDH1A1 P00352 3/20 0.34
LMNA P02545 3/20 0.34
HTT P42858 3/20 0.34
HPGD P15428 2/20 0.34
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
NPSR1 Q6W5P4 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
GABRA2 P47869 1/20 0.34
GABRB2 P47870 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 2/20 0.33
POLB P06746 1/20 0.33
P2RY12 Q9H244 1/20 0.33
CACNA1D Q01668 1/20 0.33

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
SCHEMBL16740525 0.87 KDM4E (0.38) KDM4ENPC1RAB9AALDH1A1LMNA
SCHEMBL16740491 0.80 NPSR1 (0.43) KDM4ENPC1RAB9AALOX12ALDH1A1
SCHEMBL16740538 0.80 BRD3 (0.41) DGAT1
SCHEMBL16740508 0.79 BRD4 (0.36) DGAT1
SCHEMBL16740493 0.72 KDM4E (0.40) KDM4ENPC1RAB9AALDH1A1LMNA
SCHEMBL16740516 0.71 ALDH1A1 (0.36) DGAT1KDM4ENPC1RAB9AALDH1A1
SCHEMBL16740483 0.69 DGAT1 (0.41) DGAT1KDM4EALDH1A1LMNAKMT2A
SCHEMBL16740421 0.68 BRD4 (0.37) DGAT1MAPTPOLB
SCHEMBL16740446 0.68 BRD3 (0.36) MAPTPOLB
SCHEMBL16740477 0.67 ALDH1A1 (0.43) KDM4EALDH1A1LMNAHPGDKMT2A

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
US-9550796-B2 Pyrrolopyrrolone derivatives and their use as BET inhibitors NOVARTIS AG (CH) 2017-01-24 US disclosed
US-20160280719-A1 PYRROLOPYRROLONE DERIVATIVES AND THEIR USE AS BET INHIBITORS NOVARTIS AG (CH) 2016-09-29 US disclosed
EP-3071571-A1 PYRROLOPYRROLONE DERIVATIVES AND THEIR USE AS BET INHIBITORS Novartis AG (CH) 2016-09-28 EP disclosed
WO-2015075665-A1 PYRROLOPYRROLONE DERIVATIVES AND THEIR USE AS BET INHIBITORS NOVARTIS AG (CH) 2015-05-28 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-20160280719-A1 PYRROLOPYRROLONE DERIVATIVES AND THEIR USE AS BET INHIBITORS BET1, PHKB, TMPO DGAT1 4386/4885KDM4E 760/4885NPC1 2833/4885

“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.