SCHEMBL5263197

SCHEMBL5263197

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

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CFD P00746 10/20 0.43
▸ ADORA2A P29274 1/20 0.40
▸ ADORA1 P30542 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ POLB P06746 2/20 0.37
▸ HTT P42858 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ CNR2 P34972 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ TTK P33981 1/20 0.35

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
SCHEMBL5260956 0.93 CFD (0.44) CFDADORA2AADORA1ALDH1A1KDM4E
SCHEMBL5263193 0.84 KDM4E (0.48) CFDALDH1A1KDM4EHSD17B10POLB
SCHEMBL5262020 0.84 LMNA (0.39) CFDALDH1A1KDM4EPOLBHTT
SCHEMBL5264473 0.83 MAPT (0.44) ALDH1A1KDM4EHSD17B10POLBHTT
SCHEMBL5260416 0.83 KDM4E (0.40) CFDALDH1A1KDM4EHSD17B10POLB
SCHEMBL5259657 0.79 AKR1C3 (0.41) ALDH1A1KDM4EHSD17B10HTTCNR2
SCHEMBL5260904 0.77 HTR1A (0.39) ALDH1A1KDM4EHSD17B10POLBMEN1
SCHEMBL5264178 0.77 KDM4E (0.50) CFDALDH1A1KDM4EHSD17B10POLB
SCHEMBL5266123 0.76 MEN1 (0.50) SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL5260022 0.76 MAPT (0.45) ALDH1A1KDM4EHSD17B10POLBHTT

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 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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