SCHEMBL5620841

SCHEMBL5620841

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RXFP1 Q9HBX9 2/20 0.40
▸ MRGPRX4 Q96LA9 4/20 0.39
▸ MEP1B Q16820 4/20 0.38
▸ MAPK1 P28482 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ EGFR P00533 1/20 0.37
▸ CSF1R P07333 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ TP53 P04637 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ MEP1A Q16819 1/20 0.36
▸ ACMSD Q8TDX5 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ PPARA Q07869 1/20 0.35
▸ SLC16A3 O15427 1/20 0.35
▸ PKM P14618 1/20 0.35
▸ NFKB1 P19838 1/20 0.35
▸ RAB9A P51151 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
SCHEMBL5622360 0.93 MRGPRX4 (0.41) RXFP1MRGPRX4MEP1BMAPK1L3MBTL1
SCHEMBL5622325 0.90 ALDH1A1 (0.39) RXFP1MAPK1L3MBTL1ALDH1A1MEN1
SCHEMBL5620190 0.88 RXFP1 (0.37) RXFP1MAPK1L3MBTL1MEN1KMT2A
SCHEMBL5620107 0.88 ACHE (0.39) RXFP1MEN1KMT2A
SCHEMBL5621963 0.88 RXFP1 (0.41) RXFP1MAPK1L3MBTL1ALDH1A1MEN1
SCHEMBL5620836 0.86 LMNA (0.39) RXFP1MAPK1L3MBTL1MEN1KMT2A
SCHEMBL5622103 0.86 TLR9 (0.36) RXFP1CSF1RALDH1A1MEN1KMT2A
SCHEMBL5652422 0.86 PIM1 (0.36) RXFP1L3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL5619899 0.86 RXFP1 (0.35) RXFP1CSF1RMEN1KMT2A
SCHEMBL5622072 0.86 MAPK1 (0.42) RXFP1MAPK1L3MBTL1ALDH1A1MEN1

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 10 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
CN-1845924-A Arylamine-substituted quinazolinone compounds HOFFMANN LA ROCHE (CH) 2006-10-11 — — CN 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 RXFP1 64/4885MRGPRX4 131/4885MEP1B 504/4885
US-20050038016-A1 Arylamine-substituted quinazolinone compounds useful as alpha 1A/B adrenergic receptor antagonists ADRB1, ADRA1A, ADRA1B RXFP1 64/4885MRGPRX4 131/4885MEP1B 504/4885

“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.

Send feedback