SCHEMBL6795539

SCHEMBL6795539

NCCCCCc1nc2ccccc2c(=O)[nH]1

nearest known ligand 0.69

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 6/20 0.69
PDE10A Q9Y233 2/20 0.62
PARP2 Q9UGN5 2/20 0.61
HTR1A P08908 3/20 0.59
HTR7 P34969 3/20 0.59
TNKS2 Q9H2K2 1/20 0.59
KMT2A Q03164 1/20 0.57
RAB9A P51151 1/20 0.54
HCAR2 Q8TDS4 3/20 0.53
POLB P06746 1/20 0.52
RET P07949 1/20 0.52
KDR P35968 1/20 0.52

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
SCHEMBL6791216 0.94 PARP1 (0.73) PARP1PDE10APARP2HTR1AHTR7
SCHEMBL31397021 0.88 PDE10A (0.69) PARP1PDE10APARP2TNKS2KMT2A
SCHEMBL1914469 0.88 PDE10A (0.69) PARP1PDE10APARP2TNKS2KMT2A
Hydrochloric Acid SCHEMBL15575309 0.86 PDE10A (0.68) PARP1PDE10APARP2TNKS2KMT2A
SCHEMBL30176973 0.85 PARP1 (0.89) PARP1PDE10APARP2HTR1AHTR7
SCHEMBL22857122 0.85 PARP1 (0.89) PARP1PDE10APARP2HTR1AHTR7
SCHEMBL28598382 0.85 PARP1 (0.89) PARP1PDE10APARP2HTR1AHTR7
SCHEMBL4852668 0.85 PARP1 (0.69) PARP1PDE10APARP2HTR1AHTR7
SCHEMBL14621928 0.85 PARP1 (0.89) PARP1PDE10APARP2HTR1AHTR7
SCHEMBL30176861 0.85 PARP1 (0.89) PARP1PDE10APARP2HTR1AHTR7

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 3 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 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 PARP1 1/4885PDE10A 2013/4885PARP2 3/4885

“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.