SCHEMBL5040720

SCHEMBL5040720

Cc1cc2oc(C)cc2[nH]1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 3/20 0.40
NOS1 P29475 2/20 0.35
KEAP1 Q14145 2/20 0.35
PSMB8 P28062 1/20 0.35
NOS3 P29474 1/20 0.35
NOS2 P35228 1/20 0.35
CA1 P00915 3/20 0.34
NQO1 P15559 1/20 0.33
KMO O15229 1/20 0.33
CYP2A6 P11509 1/20 0.33
GAA P10253 3/20 0.32
RXFP1 Q9HBX9 2/20 0.32
CYP1A2 P05177 1/20 0.32
ALDH1A1 P00352 2/20 0.31
AXL P30530 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MAPT P10636 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CA9 Q16790 2/20 0.30
LMNA P02545 1/20 0.30

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
SCHEMBL14267140 0.77 KEAP1 (0.35) NOS1KEAP1PSMB8NOS3NOS2
SCHEMBL12617380 0.76 NPC1 (0.33) NOS1KEAP1PSMB8NOS3NOS2
SCHEMBL31373781 0.74 CYP2A6 (0.41) NOS1KEAP1PSMB8NOS3NOS2
SCHEMBL12965983 0.73 KEAP1 (0.40) SMYD3KEAP1PSMB8CYP2A6ALDH1A1
SCHEMBL4419450 0.73 KEAP1 (0.40) SMYD3KEAP1PSMB8CYP2A6ALDH1A1
SCHEMBL3360077 0.71 DAO (0.46) SMYD3GAACYP1A2KDM4EMAPT
SCHEMBL4430660 0.71 NQO2 (0.42) NOS1KEAP1CYP2A6GAARXFP1
SCHEMBL2406831 0.70 SMYD3 (0.53) SMYD3NOS1NOS3NOS2ALDH1A1
SCHEMBL1673129 0.67 NOS1 (0.37) SMYD3NOS1NOS3NOS2CA1
SCHEMBL13671555 0.67 KDM4E (0.35) NOS1KEAP1PSMB8NOS3NOS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1715840-B1 KERATIN DYEING COMPOSITIONS CONTAINING BICYCLIC FUSED 5-5 HETEROAROMATIC DYES PROCTER & GAMBLE (US) 2008-12-03 EP claimed
US-7303590-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2007-12-04 US claimed
US-20050193502-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER, GAMBLE COMPANY, THE 2005-09-08 US claimed
US-20230312481-A1 SUBSTITUTED (PHTHALAZIN-1-YLMETHYL)UREAS, SUBSTITUTED N-(PHTHALAZIN-1-YLMETHYL)AMIDES, AND ANALOGUES THEREOF ARBUTUS BIOPHARMA CORP (CA) 2023-10-05 US disclosed
US-9820972-B2 Antiviral compounds highly effective as HCV-NS5A inhibitor AB Pharma Ltd. (CN) 2017-11-21 US disclosed
EP-3153515-A1 COMPOUNDS FOR INHIBITING HEPATITIS C VIRUS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF AB Pharma Ltd (CN) 2017-04-12 EP disclosed
US-20160229866-A1 HEPATITIS C VIRUS INHIBITORS IDENIX PHARMACEUTICALS INC. (US) 2016-08-11 US disclosed
US-20160136134-A1 ANTIVIRAL COMPOUNDS HIGHLY EFFECTIVE AS HCV-NS5A INHIBITOR AB Pharma Ltd. (CN) 2016-05-19 US disclosed
US-9334291-B2 Antiviral compounds highly effective as HCV-NS5A inhibitor AB Pharma Ltd. (CN) 2016-05-10 US disclosed
US-9187496-B2 5,5-fused arylene or heteroarylene hepatitis C virus inhibitors IDENIX PHARMACEUTICALS LLC (US) 2015-11-17 US disclosed
US-20140364429-A1 ANTIVIRAL COMPOUNDS HIGHLY EFFECTIVE AS HCV-NS5A INHIBITOR AB Pharma Ltd. (CN) 2014-12-11 US disclosed
US-8362068-B2 5,5-fused arylene or heteroarylene hepatitis C virus inhibitors IDENIX PHARMACEUTICALS, INC. (US) 2013-01-29 US disclosed
US-20120252721-A1 METHODS FOR TREATING DRUG-RESISTANT HEPATITIS C VIRUS INFECTION WITH A 5,5-FUSED ARYLENE OR HETEROARYLENE HEPATITIS C VIRUS INHIBITOR IDENIX PHARMACEUTICALS, INC. (US) 2012-10-04 US disclosed
US-20110150827-A1 5,5-FUSED ARYLENE OR HETEROARYLENE HEPATITIS C VIRUS INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2011-06-23 US disclosed
EP-1715840-B1 KERATIN DYEING COMPOSITIONS CONTAINING BICYCLIC FUSED 5-5 HETEROAROMATIC DYES PROCTER & GAMBLE (US) 2008-12-03 EP disclosed
US-7303590-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2007-12-04 US disclosed
EP-1715840-A1 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF The Procter and Gamble Company (US) 2006-11-02 EP disclosed
US-20050193502-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER, GAMBLE COMPANY, THE 2005-09-08 US disclosed
WO-2005077324-A1 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF THE PROCTER & GAMBLE COMPANY (US) 2005-08-25 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 (7 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-20110150827-A1 5,5-FUSED ARYLENE OR HETEROARYLENE HEPATITIS C VIRUS INHIBITORS HAVCR2, CYP3A5, CYP2E1 SMYD3 4774/4885NOS1 3825/4885KEAP1 214/4885
US-20160136134-A1 ANTIVIRAL COMPOUNDS HIGHLY EFFECTIVE AS HCV-NS5A INHIBITOR MAVS, HAVCR2, EIF2AK2 SMYD3 4567/4885NOS1 3105/4885KEAP1 319/4885
US-20230312481-A1 SUBSTITUTED (PHTHALAZIN-1-YLMETHYL)UREAS, SUBSTITUTED N-(PHTHALAZIN-1-YLMETHYL)AMIDES, AND ANALOGUES THEREOF NSD3, PML, NSD1 SMYD3 272/4885NOS1 3594/4885KEAP1 1700/4885
US-20140364429-A1 ANTIVIRAL COMPOUNDS HIGHLY EFFECTIVE AS HCV-NS5A INHIBITOR MAVS, HAVCR2, EIF2AK2 SMYD3 4567/4885NOS1 3105/4885KEAP1 319/4885
US-20050193502-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof KRT18, KLK5, CKMT1A; CKMT1B SMYD3 1240/4885NOS1 1863/4885KEAP1 172/4885
US-20120252721-A1 METHODS FOR TREATING DRUG-RESISTANT HEPATITIS C VIRUS INFECTION WITH A 5,5-FUSED ARYLENE OR HETEROARYLENE HEPATITIS C VIRUS INHIBITOR HAVCR2, CYP3A5, CYP7A1 SMYD3 4366/4885NOS1 3779/4885KEAP1 460/4885
US-20160229866-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, LIPC, LDHB SMYD3 2303/4885NOS1 4609/4885KEAP1 1941/4885

“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.