SCHEMBL5259657

SCHEMBL5259657

COc1cc2[nH]c(N3CCCN(C(=O)N4CCOCC4)CC3)nc(=O)c2c(C)c1OC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKR1C3 P42330 5/20 0.41
▸ CNR2 P34972 1/20 0.38
▸ LMNA P02545 2/20 0.38
▸ TSHR P16473 3/20 0.37
▸ HPGD P15428 4/20 0.37
▸ ALDH1A1 P00352 3/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ CASP1 P29466 2/20 0.37
▸ CASP7 P55210 2/20 0.37
▸ HSD17B10 Q99714 2/20 0.37
▸ MAPT P10636 2/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ PSEN1 P49768 1/20 0.35
▸ PSEN2 P49810 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
SCHEMBL5262020 0.84 LMNA (0.39) LMNATSHRALDH1A1KDM4EMAPT
SCHEMBL5264473 0.81 MAPT (0.44) LMNATSHRHPGDALDH1A1KDM4E
SCHEMBL5263193 0.79 KDM4E (0.48) LMNATSHRALDH1A1KDM4EHSD17B10
SCHEMBL5263197 0.79 CFD (0.43) CNR2ALDH1A1KDM4EHSD17B10MAPT
SCHEMBL5262874 0.78 ALDH1A1 (0.55) LMNATSHRHPGDALDH1A1KDM4E
SCHEMBL5260416 0.78 KDM4E (0.40) LMNATSHRHPGDALDH1A1KDM4E
SCHEMBL14463640 0.76 MGLL (0.40) AKR1C3CNR2TSHRHPGDALDH1A1
SCHEMBL5262125 0.76 KMT2A (0.40) LMNATSHRHPGDALDH1A1KDM4E
SCHEMBL5260904 0.75 HTR1A (0.39) LMNATSHRHPGDALDH1A1KDM4E
SCHEMBL5263885 0.75 DCTPP1 (0.36) LMNATSHRALDH1A1KDM4EMAPT

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
US-20050124607-A1 5-Substituted quinazolinone compounds useful as alpha 1A/B adrenergic receptor antagonists ROCHE PALO ALTO LLC 2005-06-09 — — US 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 AKR1C3 279/4885CNR2 116/4885LMNA 2114/4885

“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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