SCHEMBL16740458

SCHEMBL16740458

CCOC(=O)c1c(C)cn(C)c1C(N=[N+]=[N-])c1ccc(Cl)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.38
KDM4E B2RXH2 4/20 0.38
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
ALDH1A1 P00352 3/20 0.38
NPSR1 Q6W5P4 4/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAPT P10636 5/20 0.37
LMNA P02545 2/20 0.37
HTT P42858 2/20 0.37
FNTA P49354 1/20 0.36
FNTB P49356 1/20 0.36
RAB9A P51151 3/20 0.36
NPC1 O15118 2/20 0.36
TP53 P04637 2/20 0.36
PRKCZ Q05513 1/20 0.36
MAPK1 P28482 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
MDM2 Q00987 1/20 0.35
GABRA2 P47869 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
SCHEMBL16740485 0.82 HPGD (0.42) HPGDKDM4EKMT2AMEN1ALDH1A1
SCHEMBL16740472 0.81 HPGD (0.44) HPGDKDM4EKMT2AMEN1ALDH1A1
SCHEMBL16740436 0.72 SLC6A4 (0.36) HPGDKDM4EKMT2AALDH1A1NPSR1
SCHEMBL16740450 0.72 S1PR1 (0.38) HPGDKDM4EKMT2AMEN1ALDH1A1
SCHEMBL23498962 0.71 CA12 (0.42) HPGDKDM4EKMT2AALDH1A1SMN1; SMN2
SCHEMBL16740524 0.71 BAZ2B (0.46) HPGDKDM4EKMT2AMEN1ALDH1A1
SCHEMBL16740493 0.69 KDM4E (0.40) HPGDKDM4EKMT2AMEN1ALDH1A1
SCHEMBL16740509 0.68 BRD3 (0.40)
SCHEMBL16740491 0.67 NPSR1 (0.43) HPGDKDM4EKMT2AMEN1ALDH1A1
SCHEMBL11212558 0.65 KMT2A (0.50) HPGDKDM4EKMT2AALDH1A1SMN1; 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 HPGD 1433/4885KDM4E 760/4885KMT2A 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.