Sugi Predict

Sugi Predict / Compounds / SCHEMBL3535919

SCHEMBL3535919

SCHEMBL3535919

O=[N+]([O-])c1[c]cccc1-c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.53
▸ TDP1 Q9NUW8 1/20 0.53
▸ HPRT1 P00492 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ MYC P01106 2/20 0.38
▸ POLB P06746 2/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ CRHBP P24387 1/20 0.37
▸ CRHR2 Q13324 1/20 0.37
▸ PTGS2 P35354 3/20 0.36
▸ MAX P61244 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ MAPK1 P28482 2/20 0.35
▸ PTGDR2 Q9Y5Y4 1/20 0.34
▸ HSD17B10 Q99714 3/20 0.33
▸ HPGD P15428 1/20 0.33
▸ BCL2L1 Q07817 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33

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
SCHEMBL6683239 0.86 HTR7 (0.42) ALDH1A1TDP1LMNAPOLBMEN1
SCHEMBL6194171 0.84 PTGS2 (0.40) ALDH1A1TDP1POLBPTGS2MEN1
SCHEMBL6192267 0.84 HPRT1 (0.46) ALDH1A1TDP1HPRT1LMNAPOLB
SCHEMBL6191701 0.84 PTGS2 (0.40) ALDH1A1TDP1LMNAPOLBRAB9A
SCHEMBL5150349 0.82 TSHR (0.48) ALDH1A1TDP1LMNARAB9AMAPT
SCHEMBL6191715 0.80 HTR7 (0.44) RAB9APTGS2KMT2ATP53MAPT
SCHEMBL6192517 0.80 FBP1 (0.37) ALDH1A1TDP1MAPT
SCHEMBL6193011 0.80 TSHR (0.45) ALDH1A1TDP1HPRT1LMNARAB9A
SCHEMBL6192325 0.80 ALDH1A1 (0.45) ALDH1A1TDP1MEN1KMT2AMAPK1
SCHEMBL6190666 0.80 CYP2A6 (0.47) ALDH1A1LMNARAB9APTGS2MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5859259-A Activated esters of 1-phenylpyrazolin-5-one for labeling amine-functionalized molecules PERSEPTIVE BIOSYSTEMS, INC. (US) 1999-01-12 — — US claimed
US-4710491-A N-glycosylated carboxylic acid derivatives as agents for combating rheumatic diseases TROPONWERKE GMBH & CO., KG (DE) 1987-12-01 — — US claimed
US-4007185-A MICROBIOCIDES ABBOTT LABORATORIES (US) 1977-02-08 — — US claimed
CN-106188044-B A kind of synthetic method of 3- arylthios imidazo [1,5-a] N- heterocyclic compounds of catalysis of iodine 安徽理工大学 2018-05-29 — — CN disclosed
CN-106188044-A A kind of synthetic method of 3 arylthio imidazos [1,5 a] the N heterocyclic compound of catalysis of iodine 安徽理工大学 2016-12-07 — — CN disclosed
US-7829566-B2 Such as (7-chloro-2-styryl-quinazolin-4-yl)-(3-imidazol-1-yl-propyl)-amine; glycoprotein antagonist; anticholesterol agents; cardiovascular disorders; strokes; antiischemic agents MEDERSKI WERNER 2010-11-09 — — US disclosed
US-7547702-B2 4-amino-quinazolines ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2009-06-16 — — US disclosed
US-20070293667-A1 4-Amino-quinazolines MEDERSKI WERNER 2007-12-20 — — US disclosed
US-20060019974-A1 Glycoprotein antagonist; anticholesterol agents; cardiovascular disorders; strokes; antiischemic agents ORTHO-MCNEIL PHARMACEUTICALS, INC. 2006-01-26 — — US disclosed
EP-1585727-A1 INDOLES USEFUL IN THE TREATMENT OF ANDROGEN-RECEPTOR RELATED DISEASES Akzo Nobel N.V. (NL) 2005-10-19 — — EP disclosed
WO-2004041782-A1 INDOLES USEFUL IN THE TREATMENT OF ANDROGEN-RECEPTOR RELATED DISEASES AKZO NOBEL N.V. (NL) 2004-05-21 — — WO disclosed
WO-2002024666-A2 4-AMINO-QUINAZOLINES MERCK PATENT GMBH (DE) 2002-03-28 — — WO disclosed
EP-1144381-A2 SUBSTITUTED BENZO[DE]ISOQUINOLINE-1,3-DIONES MERCK PATENT GmbH (DE) 2001-10-17 — — EP disclosed
EP-1133475-A1 SUBSTITUTED BENZO DE]ISOQUINOLINE-1,3-DIONES MERCK PATENT GmbH (DE) 2001-09-19 — — EP disclosed
EP-1077947-A1 NOVEL 1,5 AND 3-O-SUBSTITUTED 1H-INDAZOLES WITH ANTI-ASTHMATIC, ANTI-ALLERGIC, ANTI-INFLAMMATORY, IMMUNO-MODULATING AND NEURO-PROTECTIVE EFFECT, METHOD FOR THE PRODUCTION AND USE THEREOF AS MEDICAMENTS ARZNEIMITTELWERK DRESDEN GMBH (DE) 2001-02-28 — — EP disclosed
WO-2000032577-A2 SUBSTITUTED BENZO[DE]ISOQUINOLINE-1,3-DIONES MERCK PATENT GMBH (DE) 2000-06-08 — — WO disclosed
WO-2000031039-A1 SUBSTITUTED BENZO[DE]ISOQUINOLINE-1,3-DIONES MERCK PATENT GMBH (DE) 2000-06-02 — — WO disclosed
WO-1999058503-A1 NOVEL 1,5 AND 3-O-SUBSTITUTED 1H-INDAZOLES WITH ANTI-ASTHMATIC, ANTI-ALLERGIC, ANTI-INFLAMMATORY, IMMUNO-MODULATING AND NEURO-PROTECTIVE EFFECT, METHOD FOR THE PRODUCTION AND USE THEREOF AS MEDICAMENTS ARZNEIMITTELWERK DRESDEN GMBH (DE) 1999-11-18 — — WO disclosed
US-4914002-A High contrast image, high sensitivity FUJI PHOTO FILM CO., LTD. (JP) 1990-04-03 — — US disclosed
EP-0045937-A2 New cephem compounds and processes for preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1982-02-17 — — EP 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 (2 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-20060019974-A1 Glycoprotein antagonist; anticholesterol agents; cardiovascular disorders; strokes; antiischemic agents SERPINA3, APOL1, MGAT3 ALDH1A1 1459/4885TDP1 2927/4885HPRT1 3462/4885
US-20070293667-A1 4-Amino-quinazolines MRGPRX4, MRGPRX1, MRGPRX2 ALDH1A1 1858/4885TDP1 2375/4885HPRT1 1439/4885

“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.