SCHEMBL4339844

SCHEMBL4339844

O=c1[nH]c(CCCN2CCN(c3ccc(Cl)cc3)CC2)nc2ccccc12

nearest known ligand 0.94

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 8/20 0.94
HTR7 P34969 8/20 0.94
PARP1 P09874 9/20 0.85
PARP2 Q9UGN5 2/20 0.70
DRD4 P21917 2/20 0.61
DRD2 P14416 1/20 0.60
DRD3 P35462 1/20 0.60

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
SCHEMBL29802517 1.00 HTR1A (0.94) HTR1AHTR7PARP1PARP2DRD4
SCHEMBL6795086 0.88 PARP1 (0.87) HTR1AHTR7PARP1PARP2DRD4
SCHEMBL31060680 0.82 PARP1 (1.00) HTR1AHTR7PARP1PARP2
SCHEMBL11844266 0.82 PARP1 (0.70) HTR1AHTR7PARP1PARP2
SCHEMBL6796582 0.78 GAA (0.76) HTR1AHTR7PARP1PARP2
SCHEMBL3394834 0.78 DRD4 (0.84) HTR1AHTR7PARP1DRD4
SCHEMBL6647060 0.78 HTR1A (0.60) HTR1AHTR7PARP1PARP2DRD2
SCHEMBL6795601 0.77 PARP1 (0.70) HTR1AHTR7PARP1PARP2
SCHEMBL14981676 0.77 PARP1 (1.00) HTR1AHTR7PARP1PARP2
SCHEMBL3397598 0.76 DRD4 (0.78) HTR1AHTR7PARP1DRD4

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-20040077667-A1 Quinazolinone derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-04-22 US claimed
EP-1355888-A1 QUINAZOLINONE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-10-29 EP claimed
WO-2002048117-A1 QUINAZOLINONE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-06-20 WO claimed
US-7632819-B1 Administering a peptide, Asparagine-Isoleucine-Proline-Asparagine (SEQ ID NO: 5),to inhibit oxidative stress mediating neurodegenerative diseases; antiapoptosis; Alzheimer's, Parkinson's, and Huntington diseases; amyotrophic lateral sclerosis;antiischemic, -inflammatory agents; stroke, cardiovascular IOWA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2009-12-15 US disclosed
US-20040077667-A1 Quinazolinone derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-04-22 US disclosed
EP-1355888-A1 QUINAZOLINONE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-10-29 EP disclosed
WO-2002048117-A1 QUINAZOLINONE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-06-20 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-20040077667-A1 Quinazolinone derivatives PARP1, PARP9, PARP2 HTR1A 848/4885HTR7 1045/4885PARP1 1/4885

“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.