SCHEMBL5620425

SCHEMBL5620425

COc1cc2[nH]c(N(C)Cc3cccc(C(=O)N(C)CCO)c3)nc(=O)c2c(OC)c1OC

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GYS1 P13807 1/20 0.43
▸ HTR1A P08908 1/20 0.41
▸ ADRA1D P25100 1/20 0.41
▸ ADRA1A P35348 1/20 0.41
▸ ADRA1B P35368 1/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.38
▸ PARP1 P09874 2/20 0.38
▸ MEN1 O00255 3/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ POLB P06746 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ RECQL P46063 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ ROCK2 O75116 2/20 0.35
▸ ROCK1 Q13464 2/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ TP53 P04637 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
SCHEMBL5622717 0.93 HTR1A (0.43) GYS1HTR1AADRA1DADRA1AADRA1B
SCHEMBL5620924 0.92 HTR1A (0.46) GYS1HTR1AADRA1DADRA1AADRA1B
SCHEMBL5622360 0.88 MRGPRX4 (0.41) RXFP1MEN1KMT2AALDH1A1TDP1
SCHEMBL5622488 0.88 FABP4 (0.34) GYS1RXFP1MEN1KMT2APOLB
SCHEMBL5621944 0.88 ACHE (0.36) RXFP1MEN1KMT2AHPGDKDM4E
Hydrochloric Acid SCHEMBL5621792 0.87 ACHE (0.35) RXFP1MEN1KMT2AHPGDKDM4E
SCHEMBL5621543 0.86 FYN (0.42) PARP1POLBKDM4EROCK2ROCK1
SCHEMBL5620864 0.86 ROCK2 (0.39) RXFP1PARP1MEN1KMT2AHPGD
SCHEMBL27654352 0.86 MEN1 (0.34) HTR1AADRA1DADRA1AADRA1BRXFP1
SCHEMBL5621209 0.85 MEN1 (0.38) RXFP1MEN1KMT2AHPGDALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7244738-B2 Arylamine-substituted quinazolinone compounds useful as alpha 1A/B adrenergic receptor antagonists ROCHE PALO ALTO LLC (US) 2007-07-17 — — US claimed
US-20050038016-A1 Arylamine-substituted quinazolinone compounds useful as alpha 1A/B adrenergic receptor antagonists ROCHE PALO ALTO LLC 2005-02-17 — — US claimed
US-20070265446-A1 Arylamine-substituted quinazolinone compounds useful as alpha 1A/B adrenergic receptor antagonists CONNOLLY TERRENCE J 2007-11-15 — — US disclosed
US-20070265446-A1 Arylamine-substituted quinazolinone compounds useful as alpha 1A/B adrenergic receptor antagonists CONNOLLY TERRENCE J 2007-11-15 — — US disclosed
US-20070265446-A1 Arylamine-substituted quinazolinone compounds useful as alpha 1A/B adrenergic receptor antagonists CONNOLLY TERRENCE J 2007-11-15 — — US disclosed
US-7244738-B2 Arylamine-substituted quinazolinone compounds useful as alpha 1A/B adrenergic receptor antagonists ROCHE PALO ALTO LLC (US) 2007-07-17 — — US disclosed
US-7244738-B2 Arylamine-substituted quinazolinone compounds useful as alpha 1A/B adrenergic receptor antagonists ROCHE PALO ALTO LLC (US) 2007-07-17 — — US disclosed
US-7244738-B2 Arylamine-substituted quinazolinone compounds useful as alpha 1A/B adrenergic receptor antagonists ROCHE PALO ALTO LLC (US) 2007-07-17 — — US disclosed
US-20050038016-A1 Arylamine-substituted quinazolinone compounds useful as alpha 1A/B adrenergic receptor antagonists ROCHE PALO ALTO LLC 2005-02-17 — — 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 (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-20070265446-A1 Arylamine-substituted quinazolinone compounds useful as alpha 1A/B adrenergic receptor antagonists ADRB1, ADRA1A, ADRA1B GYS1 2358/4885HTR1A 20/4885ADRA1D 7/4885
US-20050038016-A1 Arylamine-substituted quinazolinone compounds useful as alpha 1A/B adrenergic receptor antagonists ADRB1, ADRA1A, ADRA1B GYS1 2358/4885HTR1A 20/4885ADRA1D 7/4885

“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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