SCHEMBL7968478

SCHEMBL7968478

CCCn1c(=O)n(Cc2ccc(C#N)cc2)c(=O)c2ccc([N+](=O)[O-])cc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.53
MEN1 O00255 6/20 0.47
CYP1A2 P05177 1/20 0.46
MAPT P10636 1/20 0.46
SRC P12931 2/20 0.45
PRKACA P17612 1/20 0.45
PRKACG P22612 1/20 0.45
PRKACB P22694 1/20 0.45
NOX4 Q9NPH5 1/20 0.45
HDAC1 Q13547 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
KCNJ1 P48048 1/20 0.42
KCNH2 Q12809 1/20 0.42
DCTPP1 Q9H773 1/20 0.41
PARG Q86W56 2/20 0.41
POLB P06746 1/20 0.41
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40

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
SCHEMBL7979565 0.83 HDAC8 (0.46) MAPTSRCHDAC1HDAC8HDAC6
SCHEMBL7425922 0.75 MEN1 (0.67) KMT2AMEN1SRCPRKACAPRKACG
SCHEMBL7985041 0.74 KMT2A (0.53) KMT2AMEN1MAPTSRCPRKACA
SCHEMBL7981601 0.74 BRPF1 (0.51) HDAC1HDAC8HDAC6PARG
SCHEMBL7652126 0.73 TDP1 (0.47) KMT2ASRCPRKACAPRKACGPRKACB
SCHEMBL7353014 0.72 MAPT (0.52) KMT2AMEN1MAPTKCNJ1KCNH2
SCHEMBL7978416 0.71 MEN1 (0.48) KMT2AMEN1MAPTSRCPRKACA
SCHEMBL17242527 0.70 KMT2A (0.54) KMT2AMEN1CYP1A2SRCPRKACA
SCHEMBL17434617 0.70 CYP1A2 (0.55) KMT2AMEN1CYP1A2MAPTPARG
SCHEMBL2865248 0.69 HTT (0.52) KMT2AMEN1SRCPRKACAPRKACG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170137387-A1 PHARMACOLOGICALLY ACTIVE QUINAZOLINEDIONE DERIVATIVES ORION CORPORATION (FI) 2017-05-18 US claimed
EP-3140301-A1 PHARMACOLOGICALLY ACTIVE QUINAZOLINEDIONE DERIVATIVES Orion Corporation (FI) 2017-03-15 EP claimed
WO-2015169999-A1 PHARMACOLOGICALLY ACTIVE QUINAZOLINEDIONE DERIVATIVES ORION CORPORATION (FI) 2015-11-12 WO claimed
US-20170137387-A1 PHARMACOLOGICALLY ACTIVE QUINAZOLINEDIONE DERIVATIVES ORION CORPORATION (FI) 2017-05-18 US disclosed
EP-3140301-A1 PHARMACOLOGICALLY ACTIVE QUINAZOLINEDIONE DERIVATIVES Orion Corporation (FI) 2017-03-15 EP disclosed
WO-2015169999-A1 PHARMACOLOGICALLY ACTIVE QUINAZOLINEDIONE DERIVATIVES ORION CORPORATION (FI) 2015-11-12 WO disclosed
US-6200976-B1 FOR TREATING THROMBOSIS BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-03-13 US 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-20170137387-A1 PHARMACOLOGICALLY ACTIVE QUINAZOLINEDIONE DERIVATIVES GABRB1, GABRB3, GABRB2 KMT2A 2358/4885MEN1 3775/4885CYP1A2 940/4885

“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.