SCHEMBL616129

SCHEMBL616129

CC(C)(C)[Si](C)(C)OCCOc1cccc(C=O)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 7/20 0.48
MAOB P27338 7/20 0.48
NPC1 O15118 8/20 0.47
RAB9A P51151 8/20 0.47
TDP1 Q9NUW8 2/20 0.47
SRC P12931 1/20 0.40
TLR4 O00206 1/20 0.39
TLR2 O60603 1/20 0.39
POLB P06746 4/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
MAPK1 P28482 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
CCNB2 O95067 1/20 0.38
CDK1 P06493 1/20 0.38
CDK4 P11802 1/20 0.38
CCNB1 P14635 1/20 0.38
CCND1 P24385 1/20 0.38
CCNB3 Q8WWL7 1/20 0.38

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
SCHEMBL31115543 1.00 MAOA (0.48) MAOAMAOBNPC1RAB9ATDP1
SCHEMBL25389100 0.96 MAOA (0.45) MAOAMAOBNPC1RAB9ATDP1
SCHEMBL30571233 0.96 MAOA (0.45) MAOAMAOBNPC1RAB9ATDP1
SCHEMBL29092682 0.87 NPC1 (0.40) MAOAMAOBNPC1RAB9ATDP1
SCHEMBL5621710 0.84 NPC1 (0.45) NPC1RAB9ATDP1TLR4TLR2
SCHEMBL5621713 0.84 NPC1 (0.45) NPC1RAB9ATDP1TLR4TLR2
SCHEMBL664995 0.82 ALDH1A1 (0.50) RAB9ASMN1; SMN2MEN1KMT2AL3MBTL1
SCHEMBL5543437 0.82 MAOA (0.66) MAOAMAOBNPC1RAB9ATDP1
SCHEMBL377842 0.81 MEN1 (0.36) MAOAMAOBNPC1RAB9ATDP1
SCHEMBL3995992 0.81 MAOA (0.48) MAOAMAOBNPC1RAB9ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11407719-B2 Anti-inflammatory agents RESVERLOGIX CORP. (CA) 2022-08-09 US disclosed
US-20210070716-A1 ANTI-INFLAMMATORY AGENTS HEPALINK (HONG KONG) LIMITED (HK) 2021-03-11 US disclosed
US-10882828-B2 Anti-inflammatory agents RESVERLOGIX CORP. (CA) 2021-01-05 US disclosed
US-20190119222-A1 NOVEL ANTI-INFLAMMATORY AGENTS RESVERLOGIX CORP. (CA) 2019-04-25 US disclosed
US-10131640-B2 Anti-inflammatory agents RESVERLOGIX CORP. (CA) 2018-11-20 US disclosed
US-20160137613-A1 NOVEL ANTI-INFLAMMATORY AGENTS RESVERLOGIX CORP. (CA) 2016-05-19 US disclosed
US-9238640-B2 Anti-inflammatory agents RESVERLOGIX CORP. (CA) 2016-01-19 US disclosed
US-20130281399-A1 TREATMENT OF DISEASES BY EPIGENETIC REGULATION RVX THERAPEUTICS INC. (CA) 2013-10-24 US disclosed
US-20120040954-A1 NOVEL ANTI-INFLAMMATORY AGENTS HEPALINK (HONG KONG) LIMITED (HK) 2012-02-16 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
EP-1546099-A4 3,6-DISUBSTITUTED AZABICYCLO 3.1.0 HEXANE DERIVATIVES USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LAB LTD (IN) 2006-08-02 EP disclosed
EP-1644369-A2 ARYLAMINE-SUBSTITUTED QUINAZOLINONE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2006-04-12 EP disclosed
EP-1546099-A2 3,6-DISUBSTITUTED AZABICYCLO 3.1.0 HEXANE DERIVATIVES USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS Ranbaxy Laboratories Limited (IN) 2005-06-29 EP 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
WO-2005005395-A2 ARYLAMINE-SUBSTITUTED QUINAZOLINONE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2005-01-20 WO disclosed
WO-2004004629-A2 3,6-DISUBSTITUTED AZABICYCLO [3.1.0]HEXANE DERIVATIVES USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2004-01-15 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 (10 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-11407719-B2 Anti-inflammatory agents VCAM1, ICAM1, IL6 MAOA 2714/4885MAOB 2738/4885NPC1 2953/4885
US-20070265446-A1 Arylamine-substituted quinazolinone compounds useful as alpha 1A/B adrenergic receptor antagonists ADRB1, ADRA1A, ADRA1B MAOA 139/4885MAOB 78/4885NPC1 1231/4885
US-20160137613-A1 NOVEL ANTI-INFLAMMATORY AGENTS VCAM1, ICAM1, IL6 MAOA 3020/4885MAOB 2998/4885NPC1 2904/4885
US-20130281399-A1 TREATMENT OF DISEASES BY EPIGENETIC REGULATION PHKB, BAZ2A, EP300 MAOA 3924/4885MAOB 3438/4885NPC1 1722/4885
US-10882828-B2 Anti-inflammatory agents VCAM1, ICAM1, IL6 MAOA 2714/4885MAOB 2738/4885NPC1 2953/4885
US-20210070716-A1 ANTI-INFLAMMATORY AGENTS VCAM1, ICAM1, IL6 MAOA 2714/4885MAOB 2738/4885NPC1 2953/4885
US-10131640-B2 Anti-inflammatory agents VCAM1, ICAM1, IL6 MAOA 2714/4885MAOB 2738/4885NPC1 2953/4885
US-20050038016-A1 Arylamine-substituted quinazolinone compounds useful as alpha 1A/B adrenergic receptor antagonists ADRB1, ADRA1A, ADRA1B MAOA 139/4885MAOB 78/4885NPC1 1231/4885
US-20190119222-A1 NOVEL ANTI-INFLAMMATORY AGENTS VCAM1, ICAM1, IL6 MAOA 3020/4885MAOB 2998/4885NPC1 2904/4885
US-20120040954-A1 NOVEL ANTI-INFLAMMATORY AGENTS VCAM1, ICAM1, IL6 MAOA 3020/4885MAOB 2998/4885NPC1 2904/4885

“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.