SCHEMBL4903808

SCHEMBL4903808

COc1cc(/C=C/[N+](=O)[O-])ccc1OCc1ccccc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.76
LMNA P02545 3/20 0.76
MAPT P10636 3/20 0.76
SMN1; SMN2 Q16637 3/20 0.76
KDM4E B2RXH2 2/20 0.76
MAPK1 P28482 2/20 0.76
NPC1 O15118 2/20 0.76
RAB9A P51151 2/20 0.76
USP2 O75604 1/20 0.76
NSD2 O96028 1/20 0.76
POLB P06746 1/20 0.76
HSP90AA1 P07900 1/20 0.76
THRB P10828 1/20 0.76
PKM P14618 1/20 0.76
APEX1 P27695 1/20 0.76
RECQL P46063 1/20 0.76
BLM P54132 1/20 0.76
KLF5 Q13887 1/20 0.76
TDP1 Q9NUW8 1/20 0.76
L3MBTL1 Q9Y468 1/20 0.76

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
SCHEMBL5185813 1.00 ALDH1A1 (0.76) ALDH1A1LMNAMAPTSMN1; SMN2KDM4E
SCHEMBL5431119 0.95 LMNA (0.69) ALDH1A1LMNAMAPTSMN1; SMN2KDM4E
SCHEMBL5431117 0.95 LMNA (0.69) ALDH1A1LMNAMAPTSMN1; SMN2KDM4E
SCHEMBL5092042 0.92 MAOA (0.67) ALDH1A1LMNAMAPTSMN1; SMN2KDM4E
SCHEMBL5092038 0.92 MAOA (0.67) ALDH1A1LMNAMAPTSMN1; SMN2KDM4E
SCHEMBL30027329 0.92 LMNA (0.66) ALDH1A1LMNAMAPTSMN1; SMN2KDM4E
SCHEMBL10601172 0.89 LMNA (0.62) ALDH1A1LMNAMAPTSMN1; SMN2KDM4E
SCHEMBL15952288 0.89 LMNA (0.67) ALDH1A1LMNAMAPTSMN1; SMN2KDM4E
SCHEMBL15952287 0.89 LMNA (0.67) ALDH1A1LMNAMAPTSMN1; SMN2KDM4E
SCHEMBL15952536 0.88 LMNA (0.61) ALDH1A1LMNAMAPTSMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115260185-B Deuterated derivative of corydaline and stephanine and preparation method thereof 杨征 2024-09-24 CN disclosed
CN-115260185-A Deuterated derivatives of corydaline and stepholidine and preparation method thereof 杨征 2022-11-01 CN disclosed
EP-3438108-B1 PHENYL [A]INDOLE[2,3-G]QUINOLIZINE COMPOUNDS, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION, AND APPLICATIONS THEREOF SHANGHAI INST MATERIA MEDICA CAS (CN) 2022-08-10 EP disclosed
EP-2848617-B1 DIARYL[A, G]QUINOLIZIDINE COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION, AND USES THEREOF SHANGHAI INST MATERIA MEDICA CAS (CN) 2022-01-12 EP disclosed
CN-109071541-B Phenyl [ a ] indole [2,3-g ] quinolizine compound, preparation method thereof, pharmaceutical composition and application thereof 中国科学院上海药物研究所 2021-06-18 CN disclosed
US-10927107-B2 Phenyl [a]indole[2,3-g]quinolizine compounds, preparation method therefor, pharmaceutical composition, and applications thereof SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2021-02-23 US disclosed
US-20190194185-A1 PHENYL [A]INDOLE[2,3-G]QUINOLIZINE COMPOUNDS, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION, AND APPLICATIONS THEREOF SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2019-06-27 US disclosed
US-20190111044-A1 2-PHENETHENYLTETRAHYDRO ISOQUINOLINES USEFUL AS ANTI-HIV COMPOUNDS Prosetta Antiviral, Inc. 2019-04-18 US disclosed
EP-3438108-A1 PHENYL [A]INDOLE[2,3-G]QUINOLIZINE COMPOUNDS, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION, AND APPLICATIONS THEREOF Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2019-02-06 EP disclosed
US-10195189-B2 2-phenethenyltetrahydro isoquinolines useful as anti-HIV compounds Prosetta Antiviral, Inc. (US) 2019-02-05 US disclosed
US-8552028-B2 8-phenylisoquinolines and pharmaceutical composition used in treatment for sepsis NATIONAL TAIWAN UNIVERSITY (TW) 2013-10-08 US disclosed
US-20130059882-A1 8-Phenylisoquinolines And Pharmaceutical Composition Used In Treatment For Sepsis NATIONAL TAIWAN UNIVERSITY (TW) 2013-03-07 US disclosed
US-20080090829-A1 SUBSTITUTED HETEROARYL- AND PHENYLSULFAMOYL COMPOUNDS PFIZER INC. 2008-04-17 US disclosed
EP-1765796-A1 SUBSTITUTED HETEROARYL- AND PHENYLSULFAMOYL COMPOUNDS Pfizer Products Inc. (US) 2007-03-28 EP disclosed
US-20060229363-A1 Substituted Heteroaryl- and Phenylsulfamoyl Compounds HAMANAKA ERNEST S 2006-10-12 US disclosed
WO-2006003495-A1 SUBSTITUTED HETEROARYL- AND PHENYLSULFAMOYL COMPOUNDS PFIZER PRODUCTS INC. (US) 2006-01-12 WO disclosed
US-6762321-B2 SUCH AS N-(2-(3,4-DIMETHOXYPHENYL)ETHYL)-3-DIFLUOROMETHOXY-2-(4 -METHYLPHENYL)ACRYLAMIDE; FUNGICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-07-13 US disclosed
US-20030195354-A1 Amide compounds and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-10-16 US disclosed
EP-1295868-A1 AMIDE COMPOUNDS AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-03-26 EP disclosed
US-4001244-A 1-ARYL-3,4-DIHYDRO-2(1H)-ISOQUINOLINE CARBONYL CHLORIDES G. D. SEARLE & CO. (US) 1977-01-04 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 (8 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-20190111044-A1 2-PHENETHENYLTETRAHYDRO ISOQUINOLINES USEFUL AS ANTI-HIV COMPOUNDS MAVS, EIF2AK2, POLRMT ALDH1A1 3748/4885LMNA 3070/4885MAPT 1106/4885
US-20060229363-A1 Substituted Heteroaryl- and Phenylsulfamoyl Compounds PPARA, PPARG, PPARD ALDH1A1 2664/4885LMNA 317/4885MAPT 1858/4885
US-10927107-B2 Phenyl [a]indole[2,3-g]quinolizine compounds, preparation method therefor, pharmaceutical composition, and applications thereof PCSK9, PCSK7, PCSK6 ALDH1A1 2606/4885LMNA 474/4885MAPT 2825/4885
US-20130059882-A1 8-Phenylisoquinolines And Pharmaceutical Composition Used In Treatment For Sepsis CXCL8, THPO, IL18 ALDH1A1 2998/4885LMNA 2299/4885MAPT 1880/4885
US-10195189-B2 2-phenethenyltetrahydro isoquinolines useful as anti-HIV compounds MAVS, EIF2AK2, POLRMT ALDH1A1 3748/4885LMNA 3070/4885MAPT 1106/4885
US-20190194185-A1 PHENYL [A]INDOLE[2,3-G]QUINOLIZINE COMPOUNDS, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION, AND APPLICATIONS THEREOF PCSK9, PCSK7, PCSK6 ALDH1A1 2606/4885LMNA 474/4885MAPT 2825/4885
US-20030195354-A1 Amide compounds and use thereof CBR1, CBR3, NAT1 ALDH1A1 244/4885LMNA 3535/4885MAPT 3676/4885
US-20080090829-A1 SUBSTITUTED HETEROARYL- AND PHENYLSULFAMOYL COMPOUNDS PPARA, PPARG, PPARD ALDH1A1 2956/4885LMNA 319/4885MAPT 1786/4885

“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.