SCHEMBL446902

SCHEMBL446902

O=c1[nH]c(=O)n(CCCCl)c2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 6/20 0.50
DAO P14920 1/20 0.49
HTR1A P08908 1/20 0.48
DRD2 P14416 1/20 0.48
HTR2A P28223 1/20 0.48
POLB P06746 1/20 0.47
ALDH1A1 P00352 2/20 0.47
HPGD P15428 2/20 0.47
LMNA P02545 2/20 0.47
MAPT P10636 1/20 0.47
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
TNKS O95271 1/20 0.43
P2RX4 Q99571 1/20 0.42
PGR P06401 1/20 0.42
RORA P35398 1/20 0.42
RORC P51449 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
SCHEMBL7305582 0.95 HTR1A (0.50) PARP1DAOHTR1ADRD2HTR2A
SCHEMBL7649804 0.94 HTR1A (0.49) PARP1DAOHTR1ADRD2HTR2A
SCHEMBL11010372 0.90 PARP1 (0.52) PARP1DAOHTR1ADRD2HTR2A
SCHEMBL6028786 0.84 PGR (0.60) PARP1DAOHTR1ADRD2HTR2A
SCHEMBL6295463 0.84 PARP1 (0.50) PARP1DAOHTR1ADRD2HTR2A
SCHEMBL29528989 0.84 PGR (0.60) PARP1DAOHTR1ADRD2HTR2A
SCHEMBL10827376 0.84 PARP1 (0.50) PARP1DAOHTR1ADRD2HTR2A
SCHEMBL11009779 0.84 ALDH1A1 (0.60) PARP1DAOHTR1ADRD2HTR2A
SCHEMBL7650175 0.83 PARP1 (0.50) PARP1DAOHTR1ADRD2HTR2A
SCHEMBL7750879 0.83 PGR (0.55) PARP1DAOHTR1ADRD2HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160108020-A1 QUINAZOLINEDIONE DERIVATIVES AS PARP INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2016-04-21 US disclosed
US-9255080-B2 Quinazolinedione derivatives as PARP inhibitors JANSSEN PHARMACEUTICA NV (BE) 2016-02-09 US disclosed
US-20140100239-A1 QUINAZOLINEDIONE DERIVATIVES AS PARP INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2014-04-10 US disclosed
US-8623884-B2 Quinazolinedione derivatives as PARP inhibitors JANSSEN PHARMACEUTICA, NV (BE) 2014-01-07 US disclosed
EP-1763523-B1 QUINAZOLINEDIONE DERIVATIVES AS PARP INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2013-03-20 EP disclosed
US-20120065216-A1 QUINAZOLINEDIONE DERIVATIVES AS PARP INHIBITORS KENNIS LUDO EDMOND JOSEPHINE (BE) 2012-03-15 US disclosed
US-8080557-B2 Quinazolinedione derivatives as PARP inhibitors JANSSEN PHARMACEUTICA, NV (BE) 2011-12-20 US disclosed
US-20080039480-A1 Quinazolinedione Derivatives as Parp Inhibitors JANSSEN PHARMCEUTICA, NV (BE) 2008-02-14 US disclosed
EP-1763523-A1 QUINAZOLINEDIONE DERIVATIVES AS PARP INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2007-03-21 EP disclosed
WO-2006003148-A1 QUINAZOLINEDIONE DERIVATIVES AS PARP INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-01-12 WO disclosed
US-6407116-B1 2,4-DIOXO-1,2,3,4-TETRAHYDROQUINAZOLINE DERIVATIVES; ANTIALLERGENS, ANTIASTHMATICS, ANTIHISTAMINES, AND ANTIINFLAMMATORY AGENTS TAKEDA CHEMICAL INDUSTRIES, INC. (JP) 2002-06-18 US disclosed
EP-1026160-A1 NITROGENOUS FUSED-RING COMPOUNDS, PROCESS FOR THE PREPARATION OF THE SAME, AND DRUGS Takeda Chemical Industries, Ltd. (JP) 2000-08-09 EP disclosed
US-4680296-A ANTIALLERGENS, ANTIPRUITIC AGENTS SYNTHELABO (FR) 1987-07-14 US disclosed
US-4522945-A SEROTONINE ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 1985-06-11 US disclosed
EP-0013612-B1 (PIPERIDINYLALKYL)QUINAZOLINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM JANSSEN PHARMACEUTICA N.V. (BE) 1983-11-09 EP disclosed
US-4335127-A POTENT SEROTONIN ANTAGONISTS JANSSEN PHARMACEUTICA, N.V. (BE) 1982-06-15 US disclosed
EP-0013612-A2 (Piperidinylalkyl)quinazoline derivatives, process for their preparation and pharmaceutical compositions containing them JANSSEN PHARMACEUTICA N.V. (BE) 1980-07-23 EP 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 (4 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-20160108020-A1 QUINAZOLINEDIONE DERIVATIVES AS PARP INHIBITORS PARP1, PARP2, PARP3 PARP1 1/4885DAO 4656/4885HTR1A 762/4885
US-20080039480-A1 Quinazolinedione Derivatives as Parp Inhibitors PARP1, PARP2, PARP3 PARP1 1/4885DAO 4656/4885HTR1A 762/4885
US-20120065216-A1 QUINAZOLINEDIONE DERIVATIVES AS PARP INHIBITORS PARP1, PARP2, PARP3 PARP1 1/4885DAO 4656/4885HTR1A 762/4885
US-20140100239-A1 QUINAZOLINEDIONE DERIVATIVES AS PARP INHIBITORS PARP1, PARP2, PARP3 PARP1 1/4885DAO 4656/4885HTR1A 762/4885

“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.