SCHEMBL17242527

SCHEMBL17242527

Cn1c(=O)n(Cc2ccc([N+](=O)[O-])cc2)c(=O)c2ccc(F)cc21

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.54
POLB P06746 1/20 0.53
SRC P12931 2/20 0.50
PRKACA P17612 1/20 0.50
PRKACG P22612 1/20 0.50
PRKACB P22694 1/20 0.50
NOX4 Q9NPH5 1/20 0.50
MEN1 O00255 4/20 0.48
P2RX4 Q99571 1/20 0.46
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HDAC1 Q13547 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
PARG Q86W56 1/20 0.42

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
SCHEMBL17241982 0.83 MAPT (0.48) KMT2AMEN1HDAC1HDAC11HDAC8
SCHEMBL6510739 0.83 KMT2A (0.72) KMT2ASRCPRKACAPRKACGPRKACB
SCHEMBL12991217 0.83 POLB (0.49) KMT2APOLBMEN1CYP1A2HDAC1
SCHEMBL17241490 0.81 P2RX3 (0.46) HDAC1HDAC11HDAC8HDAC6PARG
SCHEMBL17241863 0.81 MAPT (0.54) KMT2AMEN1P2RX4SMN1; SMN2
SCHEMBL17241627 0.81 SMN1; SMN2 (0.50) KMT2ASRCPRKACAPRKACGPRKACB
SCHEMBL17241578 0.76 PKM (0.45) KMT2APOLBMEN1SMN1; SMN2
SCHEMBL17243271 0.76 KMT2A (0.50) KMT2ASRCPRKACAPRKACGPRKACB
SCHEMBL27605957 0.74 PARG (0.53) KMT2APOLBSRCPRKACAPRKACG
SCHEMBL17242546 0.73 HTR3A (0.44) KMT2ASRCPRKACAPRKACGPRKACB

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 6 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

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 2358/4885POLB 3730/4885SRC 4667/4885

“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.