SCHEMBL5260956

SCHEMBL5260956

COc1cc2[nH]c(N3CCN(C(=O)CC4CCCC4)CC3)nc(=O)c2c(OC)c1OC

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CFD P00746 11/20 0.44
▸ ADORA2A P29274 1/20 0.41
▸ ADORA1 P30542 1/20 0.41
▸ KDM4E B2RXH2 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ POLB P06746 2/20 0.38
▸ CNR2 P34972 1/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ TTK P33981 1/20 0.36
▸ RAB9A P51151 1/20 0.36

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
SCHEMBL5263197 0.93 CFD (0.43) CFDADORA2AADORA1KDM4EALDH1A1
SCHEMBL5264178 0.84 KDM4E (0.50) CFDKDM4EALDH1A1HSD17B10POLB
SCHEMBL5262125 0.83 KMT2A (0.40) CFDKDM4EALDH1A1POLBMEN1
SCHEMBL5265193 0.83 PDE3B (0.39) KDM4EALDH1A1MEN1KMT2A
SCHEMBL5262158 0.82 KDM4E (0.41) CFDKDM4EALDH1A1HSD17B10POLB
SCHEMBL5260022 0.82 MAPT (0.45) KDM4EALDH1A1HSD17B10POLBMEN1
Hydrochloric Acid SCHEMBL5262896 0.81 KDM4E (0.41) CFDKDM4EALDH1A1HSD17B10POLB
SCHEMBL5264055 0.79 DPP4 (0.37) POLBMEN1KMT2A
SCHEMBL5263193 0.77 KDM4E (0.48) CFDKDM4EALDH1A1HSD17B10POLB
SCHEMBL5259770 0.76 CDK9 (0.42) ALDH1A1

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-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
CN-1845908-A 5-substituted quinazolinone derivatives HOFFMANN LA ROCHE (CH) 2006-10-11 — — CN 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 CFD 4453/4885ADORA2A 65/4885ADORA1 39/4885

“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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