SCHEMBL6794330

SCHEMBL6794330

O=C(c1ccco1)N1CCN(CCCc2nc3ccccc3c(=O)[nH]2)CC1

nearest known ligand 0.76

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 10/20 0.76
ALDH1A1 P00352 3/20 0.61
HTR1A P08908 5/20 0.58
HTR7 P34969 5/20 0.58
PARP2 Q9UGN5 1/20 0.57
MDM2 Q00987 1/20 0.54
KDM4E B2RXH2 1/20 0.53
LMNA P02545 1/20 0.53
TDP1 Q9NUW8 1/20 0.53

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
SCHEMBL3398060 0.88 ALDH1A1 (0.77) PARP1ALDH1A1LMNA
SCHEMBL11788348 0.80 ALDH1A1 (0.68) ALDH1A1KDM4ELMNATDP1
Hydrochloric Acid SCHEMBL11788201 0.79 ALDH1A1 (0.67) ALDH1A1KDM4ELMNATDP1
SCHEMBL31060680 0.78 PARP1 (1.00) PARP1HTR1AHTR7PARP2
SCHEMBL6796582 0.74 GAA (0.76) PARP1HTR1AHTR7PARP2MDM2
SCHEMBL6795915 0.74 PARP1 (0.70) PARP1HTR1AHTR7PARP2
SCHEMBL12946412 0.74 PARP1 (0.67) PARP1HTR1AHTR7PARP2KDM4E
SCHEMBL6795601 0.74 PARP1 (0.70) PARP1HTR1AHTR7PARP2
SCHEMBL6795086 0.74 PARP1 (0.87) PARP1HTR1AHTR7PARP2
SCHEMBL6796265 0.74 PARP1 (0.70) PARP1HTR1AHTR7PARP2

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 1/4885ALDH1A1 201/4885HTR1A 848/4885

“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.