SCHEMBL16740485

SCHEMBL16740485

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.42
NPSR1 Q6W5P4 4/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KDM4E B2RXH2 4/20 0.42
ALDH1A1 P00352 4/20 0.42
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
MAPT P10636 4/20 0.41
LMNA P02545 2/20 0.41
HTT P42858 2/20 0.41
RAB9A P51151 3/20 0.40
NPC1 O15118 2/20 0.40
TP53 P04637 2/20 0.40
P2RY12 Q9H244 1/20 0.40
PRKCZ Q05513 1/20 0.40
MAPK1 P28482 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
MDM2 Q00987 1/20 0.39
GABRA2 P47869 1/20 0.39
GABRB2 P47870 1/20 0.39

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
SCHEMBL16740524 0.89 BAZ2B (0.46) HPGDNPSR1SMN1; SMN2KDM4EALDH1A1
SCHEMBL16740472 0.86 HPGD (0.44) HPGDNPSR1SMN1; SMN2KDM4EALDH1A1
SCHEMBL16740491 0.84 NPSR1 (0.43) HPGDNPSR1SMN1; SMN2KDM4EALDH1A1
SCHEMBL16740493 0.83 KDM4E (0.40) HPGDNPSR1SMN1; SMN2KDM4EALDH1A1
SCHEMBL16740458 0.82 HPGD (0.38) HPGDNPSR1SMN1; SMN2KDM4EALDH1A1
SCHEMBL16740477 0.78 ALDH1A1 (0.43) HPGDNPSR1SMN1; SMN2KDM4EALDH1A1
SCHEMBL16740525 0.78 KDM4E (0.38) HPGDNPSR1KDM4EALDH1A1KMT2A
SCHEMBL16740450 0.77 S1PR1 (0.38) HPGDNPSR1SMN1; SMN2KDM4EALDH1A1
SCHEMBL23498962 0.77 CA12 (0.42) HPGDSMN1; SMN2KDM4EALDH1A1KMT2A
SCHEMBL15536000 0.76 LMNA (0.41) HPGDNPSR1SMN1; SMN2KDM4EALDH1A1

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 1433/4885NPSR1 2934/4885SMN1; SMN2 4210/4885

“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.