SCHEMBL3296222

SCHEMBL3296222

O=[N+]([O-])c1[c]ccc(-c2ccccc2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 2/20 0.49
CRHR2 Q13324 2/20 0.49
HPRT1 P00492 1/20 0.42
ALDH1A1 P00352 3/20 0.40
TDP1 Q9NUW8 1/20 0.40
LMNA P02545 1/20 0.39
KMT2A Q03164 2/20 0.39
POLB P06746 2/20 0.39
MAPK1 P28482 1/20 0.39
ALOX5 P09917 2/20 0.37
RCE1 Q9Y256 1/20 0.36
RAB9A P51151 2/20 0.35
NPC1 O15118 1/20 0.35
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
OPRK1 P41145 1/20 0.35
KCNMA1 Q12791 1/20 0.35
ABCB1 P08183 1/20 0.35
ABCC1 P33527 1/20 0.35
CYP19A1 P11511 2/20 0.34

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
SCHEMBL8650141 0.87 CYP19A1 (0.35) CRHBPCRHR2HPRT1TDP1LMNA
SCHEMBL6190789 0.84 LMNA (0.52) ALDH1A1TDP1LMNAKMT2APOLB
SCHEMBL9206594 0.84 CA12 (0.44) CRHBPCRHR2ALDH1A1TDP1LMNA
SCHEMBL6193016 0.83 TSHR (0.47) HPRT1ALDH1A1TDP1LMNAKMT2A
SCHEMBL6192874 0.83 FBP1 (0.41) CRHBPCRHR2TDP1LMNAKMT2A
SCHEMBL6192327 0.83 ALDH1A1 (0.47) ALDH1A1TDP1MAPK1ALOX5MAPT
SCHEMBL5631988 0.82 HPRT1 (0.47) HPRT1ALDH1A1TDP1LMNAKMT2A
SCHEMBL6194176 0.82 TDP1 (0.38) CRHBPCRHR2TDP1KMT2APOLB
SCHEMBL6191703 0.82 AHR (0.38) ALDH1A1TDP1LMNAKMT2APOLB
SCHEMBL15208829 0.82 POLB (0.34) CRHBPCRHR2HPRT1ALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112755022-A Application of 3-aryl pyrazolone compound in preparation of pancreatic lipase inhibitor 浙江工业大学 2021-05-07 CN claimed
US-20060173058-A1 Kcnq channel modulating compounds and their pharmaceutical use NEUROSEARCH A/S (DK) 2006-08-03 US claimed
EP-1603858-A2 KCNQ CHANNEL MODULATING COMPOUNDS AND THEIR PHARMACEUTICAL USE NeuroSearch A/S (DK) 2005-12-14 EP claimed
WO-2004080377-A2 KCNQ CHANNEL MODULATING COMPOUNDS AND THEIR PHARMACEUTICAL USE NEUROSEARCH A/S (DK) 2004-09-23 WO claimed
CN-111018872-B Nitrogen heterocyclic compound, preparation method thereof, organic electroluminescent material containing nitrogen heterocyclic compound, light-emitting layer and application 宁波卢米蓝新材料有限公司 2021-06-08 CN disclosed
CN-111018872-A Nitrogen heterocyclic compound, preparation method thereof, organic electroluminescent material containing nitrogen heterocyclic compound, light-emitting layer and application 宁波卢米蓝新材料有限公司 2020-04-17 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-7741352-B2 KCNQ channel modulating compounds and their pharmaceutical use NEUROSEARCH A/S (DK) 2010-06-22 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-20060173058-A1 Kcnq channel modulating compounds and their pharmaceutical use NEUROSEARCH A/S (DK) 2006-08-03 US disclosed
US-20060019974-A1 Glycoprotein antagonist; anticholesterol agents; cardiovascular disorders; strokes; antiischemic agents ORTHO-MCNEIL PHARMACEUTICALS, INC. 2006-01-26 US disclosed
EP-1244617-A1 SUBSTITUTED AMINOALKYLAMIDE DERIVATIVES AS ANTAGONISTS OF FOLLICLE STIMULATING HORMONE Ortho-McNeil Pharmaceutical, Inc. (US) 2002-10-02 EP disclosed
WO-2002024667-A1 4-AMINO-QUINAZOLINES MERCK PATENT GMBH (DE) 2002-03-28 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
WO-2001047875-A1 SUBSTITUTED AMINOALKYLAMIDE DERIVATIVES AS ANTAGONISTS OF FOLLICLE STIMULATING HORMONE ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2001-07-05 WO 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

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-20060173058-A1 Kcnq channel modulating compounds and their pharmaceutical use KCNQ1, KCNQ2, KCNQ5 CRHBP 3585/4885CRHR2 3550/4885HPRT1 4281/4885
US-20060019974-A1 Glycoprotein antagonist; anticholesterol agents; cardiovascular disorders; strokes; antiischemic agents SERPINA3, APOL1, MGAT3 CRHBP 3553/4885CRHR2 3244/4885HPRT1 3462/4885
US-20070293667-A1 4-Amino-quinazolines MRGPRX4, MRGPRX1, MRGPRX2 CRHBP 3521/4885CRHR2 2264/4885HPRT1 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.