SCHEMBL5262872

SCHEMBL5262872

COc1cc2[nH]c(N3CCC(N4CCCC4=O)CC3)nc(=O)c2c(C)c1OC

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TNKS O95271 2/20 0.35
▸ TNKS2 Q9H2K2 2/20 0.35
▸ KDM5A P29375 1/20 0.33
▸ PARP1 P09874 1/20 0.33
▸ POLB P06746 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ OPRL1 P41146 1/20 0.33
▸ CTSS P25774 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ NPY1R P25929 1/20 0.32
▸ NPY5R Q15761 1/20 0.32
▸ MCHR1 Q99705 3/20 0.32
▸ KCNH2 Q12809 1/20 0.32
▸ SPR P35270 1/20 0.31
▸ GFER P55789 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ PADI4 Q9UM07 1/20 0.31

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
SCHEMBL5264664 0.92 TNKS (0.36) TNKSTNKS2KDM5APARP1POLB
SCHEMBL5265367 0.88 POLB (0.33) TNKSTNKS2PARP1POLBLMNA
SCHEMBL5265378 0.80 POLB (0.33) TNKSTNKS2POLBLMNATP53
SCHEMBL5266152 0.78 ALDH1A1 (0.37) POLBTP53NPSR1
SCHEMBL5266123 0.77 MEN1 (0.50) LMNA
SCHEMBL5262020 0.76 LMNA (0.39) POLBLMNANPSR1
SCHEMBL5261625 0.76 DCTPP1 (0.35) TNKSTNKS2POLBLMNAKCNH2
SCHEMBL5263885 0.75 DCTPP1 (0.36) TNKSTNKS2POLBLMNAKCNH2
SCHEMBL5265799 0.75 ALDH1A1 (0.41) —
SCHEMBL5263197 0.75 CFD (0.43) POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050124607-A1 5-Substituted quinazolinone compounds useful as alpha 1A/B adrenergic receptor antagonists ROCHE PALO ALTO LLC 2005-06-09 — — US claimed
EP-1644343-B1 5-SUBSTITUTED QUINAZOLINONE DERIVATIVES HOFFMANN LA ROCHE (CH) 2007-07-04 — — 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 (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-20050124607-A1 5-Substituted quinazolinone compounds useful as alpha 1A/B adrenergic receptor antagonists ADRB1, ADRA1B, ADRB2 TNKS 4052/4885TNKS2 4417/4885KDM5A 2972/4885

“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.

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