SCHEMBL899512

SCHEMBL899512

O=[N+]([O-])c1ccc(N2CCNCC2)c(Cl)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.65
LMNA P02545 5/20 0.65
MAPT P10636 6/20 0.62
SMN1; SMN2 Q16637 3/20 0.62
GAA P10253 2/20 0.62
KMT2A Q03164 2/20 0.62
HPGD P15428 1/20 0.62
MEN1 O00255 1/20 0.62
ADRB1 P08588 1/20 0.59
SIRT6 Q8N6T7 1/20 0.59
MAPK1 P28482 1/20 0.58
HTR7 P34969 1/20 0.56
WDR5 P61964 1/20 0.55
HTR3E A5X5Y0 1/20 0.53
HTR3B O95264 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
SLC6A4 P31645 1/20 0.53
CYP2C19 P33261 1/20 0.53
THPO P40225 1/20 0.53

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
SCHEMBL29793662 1.00 ALDH1A1 (0.65) ALDH1A1LMNAMAPTSMN1; SMN2GAA
SCHEMBL6577448 0.89 HTT (0.60) ALDH1A1LMNAMAPTSMN1; SMN2GAA
Tert-Butyl Formate SCHEMBL28806303 0.86 ALDH1A1 (0.55) ALDH1A1LMNAMAPTSMN1; SMN2GAA
SCHEMBL6815260 0.85 GAA (0.69) ALDH1A1LMNAMAPTSMN1; SMN2GAA
SCHEMBL20876774 0.84 GAA (0.72) ALDH1A1LMNAMAPTSMN1; SMN2GAA
SCHEMBL6811691 0.84 GAA (0.71) ALDH1A1LMNAMAPTSMN1; SMN2GAA
SCHEMBL899660 0.83 ADRB1 (0.58) ALDH1A1LMNAGAAKMT2AMEN1
SCHEMBL4002581 0.83 ADRB1 (0.58) ALDH1A1LMNAMAPTGAAKMT2A
SCHEMBL8102613 0.83 ADRB1 (0.58) ALDH1A1LMNAMAPTGAAKMT2A
SCHEMBL522009 0.83 ALDH1A1 (0.69) ALDH1A1LMNAMAPTSMN1; SMN2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114773278-A Quinazoline compound and application thereof in antivirus 苏州大学 2022-07-22 CN disclosed
EP-2938608-B1 SMALL MOLECULE AGONISTS OF NEUROTENSIN RECEPTOR 1 SANFORD BURNHAM MED RES INST (US) 2021-08-04 EP disclosed
CN-107202777-B A kind of small molecule chip, its construction method, its application and its detection method 广州高通生物技术有限公司 2019-11-26 CN disclosed
US-9868707-B2 Small molecule agonists of neurotensin receptor 1 SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2018-01-16 US disclosed
EP-2870141-B1 METHANETHIONE COMPOUNDS HAVING ANTIVIRAL ACTIVITY VIRONOVA INFLUENZA AB (SE) 2017-11-22 EP disclosed
US-9676734-B2 Compounds and methods VIRONOVA INFLUENZA AB (SE) 2017-06-13 US disclosed
CN-104540810-B Methanethione compounds having antiviral activity 维洛诺瓦流感公司 2017-01-18 CN disclosed
US-20160280669-A1 COMPOUNDS AND METHODS VIRONOVA INFLUENZA AB (SE) 2016-09-29 US disclosed
CN-104447625-B Benzamide compound or its pharmaceutically acceptable salt and application thereof 中国科学院广州生物医药与健康研究院 2016-08-17 CN disclosed
US-9359310-B2 Methanethione compounds having antiviral activity VIRONOVA INFLUENZA AB (SE) 2016-06-07 US disclosed
US-20060149062-A1 Sulfanyl substituted phenyl methanones F. HOFFMANN-LA ROCHE AG (CH) 2006-07-06 US disclosed
US-20050070539-A1 Benzoyl-piperazine derivatives F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2005-03-31 US disclosed
US-6756374-B2 CYCLIN-DEPENDENT KINASE INHIBITORS SUCH AS (4-AMINO-2-((4-(4-METHYL-1-PIPERAZINYL)PHENYL)AMINO)-5-THIAZOLYL) (2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL)METHANONE FOR TREATMENT OF BREAST, LUNG, COLON, AND PROSTATE CANCER/TUMORS HOFFMANN-LA ROCHE INC. 2004-06-29 US disclosed
EP-0257864-B1 ANTIARRHYTHMIC AGENTS Pfizer Limited (GB) 1990-12-05 EP disclosed
US-4797401-A 4-Substituted-1-(4-alkylsulphonamidophenyl)piperazines as antiarrhythmic agents PFIZER INC. (US) 1989-01-10 US disclosed
EP-0257864-A1 Antiarrhythmic agents Pfizer Limited (GB) 1988-03-02 EP disclosed
US-4257952-A PSYCHOTROPIC DRUGS, ANALGESICS, ANTIHISTAMINES STERLING DRUG INC. (US) 1981-03-24 US disclosed
US-4172834-A ANALGESICS, ANTIHISTAMINES AND PSYCHOTROPIC AGENTS STERLING DRUG INC. (US) 1979-10-30 US disclosed
US-4062864-A ANALGESIC, PSYCHOTROPIC, ANTIHISTAMINE STERLING DRUG INC. (US) 1977-12-13 US disclosed
US-3959309-A ANALGESICS, PSYCHOTROPIC, ANTIHISTAMINE STERLING DRUG INC. (US) 1976-05-25 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 (3 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-20060149062-A1 Sulfanyl substituted phenyl methanones SULT1A1, SULT2A1, SULT1E1 ALDH1A1 871/4885LMNA 4147/4885MAPT 168/4885
US-20050070539-A1 Benzoyl-piperazine derivatives OPRL1, ACHE, PNMT ALDH1A1 582/4885LMNA 4692/4885MAPT 10/4885
US-20160280669-A1 COMPOUNDS AND METHODS EIF2AK2, ZC3HAV1, HIF1AN ALDH1A1 1319/4885LMNA 824/4885MAPT 3965/4885

“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.