SCHEMBL16740477

SCHEMBL16740477

CCOC(=O)c1c(C2CN(C(=O)OC(C)(C)C)C2)cn(C)c1C(O)c1ccc(Cl)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
LMNA P02545 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
GAA P10253 1/20 0.43
TP53 P04637 1/20 0.38
POLB P06746 1/20 0.38
CNR1 P21554 2/20 0.37
GPR119 Q8TDV5 1/20 0.36
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35
NCSTN Q92542 1/20 0.35
APH1A Q96BI3 1/20 0.35
PSENEN Q9NZ42 1/20 0.35
ALOX15 P16050 1/20 0.35
ADORA1 P30542 2/20 0.35
DPP4 P27487 1/20 0.35

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
SCHEMBL16740491 0.85 NPSR1 (0.43) ALDH1A1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL16740475 0.79 BRD4 (0.40) ALDH1A1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL16740485 0.78 HPGD (0.42) ALDH1A1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL16740564 0.78 BRD4 (0.39) ALDH1A1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL16740524 0.75 BAZ2B (0.46) ALDH1A1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL16740488 0.70 ALDH1A1 (0.43) ALDH1A1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL16740447 0.69 ALDH1A1 (0.44) ALDH1A1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL5221292 0.68 MEN1 (0.49) ALDH1A1MEN1KMT2ASMN1; SMN2NPSR1
SCHEMBL20757468 0.68 MEN1 (0.57) MEN1KMT2ALMNANPSR1TP53
SCHEMBL16740429 0.67 DGAT1 (0.39) ALDH1A1MEN1KMT2ALMNASMN1; SMN2

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 ALDH1A1 2915/4885MEN1 2685/4885KMT2A 2712/4885

“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.