SCHEMBL5880628

SCHEMBL5880628

COc1cc2nc(N3CCc4c(ccnc4N4CCOCC4)C3)[nH]c(=O)c2cc1OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.48
▸ HPGD P15428 2/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ PDE10A Q9Y233 1/20 0.44
▸ APP P05067 1/20 0.43
▸ BCHE P06276 1/20 0.43
▸ ACHE P22303 1/20 0.43
▸ HIF1A Q16665 1/20 0.42
▸ EHMT2 Q96KQ7 2/20 0.39
▸ EHMT1 Q9H9B1 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ PIK3CD O00329 1/20 0.39
▸ PIK3R1 P27986 1/20 0.39
▸ PIK3CA P42336 1/20 0.39
▸ PIK3CB P42338 1/20 0.39
▸ PIK3CG P48736 1/20 0.39
▸ PIK3R5 Q8WYR1 1/20 0.39
▸ CASP1 P29466 1/20 0.39

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
SCHEMBL5880447 0.86 PDE10A (0.52) ALDH1A1HPGDMEN1KMT2ASMN1; SMN2
SCHEMBL27167464 0.81 SMN1; SMN2 (0.55) ALDH1A1HPGDMEN1KMT2ASMN1; SMN2
SCHEMBL30054892 0.81 SMN1; SMN2 (0.55) ALDH1A1HPGDMEN1KMT2ASMN1; SMN2
SCHEMBL5880521 0.81 ALDH1A1 (0.44) ALDH1A1HPGDMEN1KMT2ASMN1; SMN2
SCHEMBL5880470 0.81 ALDH1A1 (0.46) ALDH1A1HPGDMEN1KMT2ASMN1; SMN2
SCHEMBL5880454 0.80 MEN1 (0.47) ALDH1A1HPGDMEN1KMT2AAPP
SCHEMBL5880430 0.80 SMN1; SMN2 (0.43) ALDH1A1HPGDMEN1KMT2ASMN1; SMN2
SCHEMBL5880493 0.80 MEN1 (0.45) ALDH1A1HPGDMEN1KMT2ASMN1; SMN2
SCHEMBL5880458 0.79 ADRA1D (0.47) ALDH1A1SMN1; SMN2CASP1HBBMAPT
SCHEMBL5880586 0.78 ACHE (0.52) SMN1; SMN2PDE10AACHEEHMT2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7091200-B2 Quinazolone derivatives as alpha 1A/B adrenergic receptor antagonists SYNTEX U.S.A. LLC (US) 2006-08-15 — — US disclosed
US-6900220-B2 Quinazolone derivatives as alpha 1A/B adrenergic receptor antagonists SYNTEX (U.S.A.) LLC (US) 2005-05-31 — — US disclosed
US-20050107365-A1 Quinazolone derivatives as alpha 1A/B adrenergic receptor antagonists BECKER CYRUS K (US) 2005-05-19 — — US disclosed
EP-1363899-B1 QUINAZOLONE DERIVATIVES AS ALPHA 1A/B ADRENERGIC RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2005-05-11 — — EP disclosed
EP-1363899-A1 QUINAZOLONE DERIVATIVES AS ALPHA 1A/B ADRENERGIC RECEPTOR ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2003-11-26 — — EP disclosed
US-20030069230-A1 Quinazolone derivatives as alpha 1A/B adrenergic receptor antagonists SYNTEX (U.S.A.) LLC 2003-04-10 — — US disclosed
WO-2002053558-A1 QUINAZOLONE DERIVATIVES AS ALPHA 1A/B ADRENERGIC RECEPTOR ANTAGONISTS F.HOFFMAN-LA ROCHE AG (CH) 2002-07-11 — — 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 (2 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-20030069230-A1 Quinazolone derivatives as alpha 1A/B adrenergic receptor antagonists ADRB1, ADRB2, ADRA2B ALDH1A1 875/4885HPGD 972/4885MEN1 4080/4885
US-20050107365-A1 Quinazolone derivatives as alpha 1A/B adrenergic receptor antagonists ADRB1, ADRB2, ADRA2B ALDH1A1 912/4885HPGD 1008/4885MEN1 3962/4885

“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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