SCHEMBL953069

SCHEMBL953069

O=[C]n1ncc2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.44
RECQL P46063 1/20 0.44
KMO O15229 1/20 0.43
SLC22A12 Q96S37 1/20 0.38
ELANE P08246 1/20 0.38
DDB1 Q16531 1/20 0.37
CRBN Q96SW2 1/20 0.37
ADRA2A P08913 2/20 0.37
ADRA2B P18089 1/20 0.37
ADRA2C P18825 1/20 0.37
DAO P14920 1/20 0.36
ASAH1 Q13510 2/20 0.36
TFPI2 P48307 1/20 0.36
GAA P10253 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 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
SCHEMBL29627707 0.81 CYP1A2 (0.43) CYP1A2RECQLKMOSLC22A12ELANE
SCHEMBL5748095 0.81 CYP1A2 (0.51) CYP1A2RECQLKMOSLC22A12ELANE
SCHEMBL30419498 0.81 CYP1A2 (0.51) CYP1A2RECQLKMOSLC22A12ELANE
SCHEMBL31690942 0.74 CYP11B1 (0.38) CYP1A2RECQLKMOSLC22A12ELANE
SCHEMBL276287 0.73 RECQL (0.47) CYP1A2RECQLKMOSLC22A12ELANE
SCHEMBL9934408 0.72 RECQL (0.61) CYP1A2RECQLKMODDB1CRBN
SCHEMBL16874288 0.72 CYP1A2 (0.37) CYP1A2RECQLKMOSLC22A12ELANE
SCHEMBL463262 0.72 KMO (0.46) CYP1A2RECQLKMOSLC22A12ELANE
SCHEMBL6006426 0.71 SLC6A2 (0.46) CYP1A2RECQLKMOSLC22A12ELANE
SCHEMBL276288 0.70 RECQL (0.48) CYP1A2RECQLKMOSLC22A12ELANE

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 105 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7459415-B1 Lubricant for thin film storage media SEAGATE TECHNOLOGY LLC (US) 2008-12-02 US claimed
US-20030138670-A1 Lubricant for thin film storage media SEAGATE TECHNOLOGY LLC 2003-07-24 US claimed
CN-117693500-A Carboxamide derivative and agricultural/horticultural plant disease control agent 组合化学工业株式会社 2024-03-12 CN disclosed
WO-2023202604-A1 ANTIVIRAL NUCLEOSIDE ANALOGUE, AND PHARMACEUTICAL COMPOSITION AND USE THEREOF 中国科学院上海药物研究所 2023-10-26 WO disclosed
WO-2020232115-A1 BIFUNCTIONAL NUTLIN-LENALIDOMIDE DERIVATIVES ((4,5-DIHYDRO-1H-IMIDAZOLE-1-CARBONYL)PIPERAZIN-1-YL-[LINKER]-1-OXOISOINDOLIN-2-YL)PIPERIDINE-2,6-DIONE DERIVATIVES) AS MDM2 DEGRADERS AND MDM2-P53 INHIBITORS FOR USE IN CANCER THERAPY WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2020-11-19 WO disclosed
WO-2020191261-A1 INDAZOLES AS LRRK2 INHIBITORS E-SCAPE BIO, INC. (US) 2020-09-24 WO disclosed
CN-106957317-B Novel pyrazole derivatives 持田制药株式会社 2019-12-31 CN disclosed
US-9777000-B2 Pyrazole derivative MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2017-10-03 US disclosed
US-20160347751-A1 NOVEL PYRAZOLE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2016-12-01 US disclosed
US-9458157-B2 Pyrazole derivative MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2016-10-04 US disclosed
US-9453015-B2 Pyrazole derivative MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2016-09-27 US disclosed
US-7183276-B2 Azole compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-02-27 US disclosed
EP-1732929-A1 TRICYCLIC BENZOPYRAN COMPOUND AS ANTI-ARRHYTHMIC AGENTS Nissan Chemical Industries, Ltd. (JP) 2006-12-20 EP disclosed
US-20060205731-A1 Novel aminopyridine compounds having Syk inhibitory activity JAPAN TOBACCO INC. (JP) 2006-09-14 US disclosed
US-20060035882-A1 CONDENSED BENZAMIDE COMPOUNDS AND INHIBITORS OF VANILLOID RECEPTOR SUBTYPE 1 (VR1) ACTIVITY JAPAN TOBACCO INC. (JP) 2006-02-16 US disclosed
WO-2005090357-A1 TRICYCLIC BENZOPYRAN COMPOUND AS ANTI-ARRHYTHMIC AGENTS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2005-09-29 WO disclosed
US-6916531-B2 Lubricant for thin film storage media SEAGATE TECHNOLOGY LLC (US) 2005-07-12 US disclosed
US-20050090534-A1 Azole compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-04-28 US disclosed
EP-1486490-A1 AZOLE COMPOUNDS Takeda Chemical Industries, Ltd. (JP) 2004-12-15 EP disclosed
US-20030138670-A1 Lubricant for thin film storage media SEAGATE TECHNOLOGY LLC 2003-07-24 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 (4 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-20050090534-A1 Azole compounds AHR, NR0B2, NR2C2 CYP1A2 98/4885RECQL 2724/4885KMO 653/4885
US-20060035882-A1 CONDENSED BENZAMIDE COMPOUNDS AND INHIBITORS OF VANILLOID RECEPTOR SUBTYPE 1 (VR1) ACTIVITY TRPV1, TRPV2, TRPA1 CYP1A2 2922/4885RECQL 3419/4885KMO 1748/4885
US-20160347751-A1 NOVEL PYRAZOLE DERIVATIVE PDE10A, PDE3A, PDE5A CYP1A2 322/4885RECQL 674/4885KMO 767/4885
US-20060205731-A1 Novel aminopyridine compounds having Syk inhibitory activity SYK, BTK, ZAP70 CYP1A2 2978/4885RECQL 2871/4885KMO 1026/4885

“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.