SCHEMBL3698199

SCHEMBL3698199

Cc1ccc2c[n+]([O-])ccc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 6/20 0.54
CYP2A6 P11509 5/20 0.54
TDP1 Q9NUW8 1/20 0.46
CCR1 P32246 1/20 0.34
CCR5 P51681 1/20 0.34
CCR8 P51685 1/20 0.34
ALDH1A1 P00352 3/20 0.34
KDM4E B2RXH2 2/20 0.34
LMNA P02545 2/20 0.34
NCK1 P16333 1/20 0.34
BACE1 P56817 1/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CA12 O43570 3/20 0.33
CA9 Q16790 3/20 0.33
MAPT P10636 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL25252937 0.92 CYP1A2 (0.52) CYP1A2CYP2A6TDP1CCR1CCR5
SCHEMBL1412043 0.78 CYP2A6 (0.52) CYP1A2CYP2A6TDP1KDM4ELMNA
SCHEMBL17193074 0.77 CYP1A2 (0.56) CYP1A2CYP2A6TDP1ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL1204605 0.76 CYP2A6 (0.50) CYP1A2CYP2A6TDP1KDM4ELMNA
SCHEMBL31556379 0.75 CYP2A6 (0.46) CYP1A2CYP2A6TDP1ALDH1A1KDM4E
SCHEMBL16637560 0.75 CYP2A6 (0.46) CYP2A6LMNAMAPT
SCHEMBL2775348 0.75 CYP1A2 (0.46) CYP1A2CYP2A6BACE1
SCHEMBL1536308 0.75 CYP2A6 (0.46) CYP1A2CYP2A6TDP1ALDH1A1KDM4E
SCHEMBL31228277 0.75 CYP1A2 (0.46) CYP1A2CYP2A6BACE1
SCHEMBL15304446 0.75 CYP2A6 (0.54) CYP1A2CYP2A6TDP1ALDH1A1KDM4E

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11858937-B2 Substituted pyrazolo[1,5-a]pyrimidines and pyrazolo[1,5-a][1,3,5]triazines as CDK inhibitors QURIENT CO., LTD. (KR) 2024-01-02 US disclosed
EP-4257625-A1 HCFO-CONTAINING ISOCYANATE-REACTIVE COMPOSITIONS, RELATED FOAM-FORMING COMPOSITIONS AND FOAMS Covestro LLC (US) 2023-10-11 EP disclosed
US-20230303757-A1 HCFO-CONTAINING ISOCYANATE-REACTIVE COMPOSITIONS, RELATED FOAM-FORMING COMPOSITIONS AND FOAMS COVESTRO LLC 2023-09-28 US disclosed
US-7718374-B2 Single nucleotide polymorphism analysis of highly polymorphic target sequences ELITECH HOLDING B.V. (NL) 2010-05-18 US disclosed
US-20090087922-A1 SINGLE NUCLEOTIDE POLYMORPHISM ANALYSIS OF HIGHLY POLYMORPHIC TARGET SEQUENCES EPOCH BIOSCIENCES, INC. (US) 2009-04-02 US disclosed
EP-1670928-A4 SINGLE NUCLEOTIDE POLYMORPHISM ANALYSIS OF HIGHLY POLYMORPHIC TARGET SEQUENCES EPOCH BIOSCIENCES INC (US) 2008-06-25 EP disclosed
US-7348146-B2 Single nucleotide polymorphism analysis of highly polymorphic target sequences EPOCH BIOSCIENCES, INC. (US) 2008-03-25 US disclosed
EP-1670928-A2 SINGLE NUCLEOTIDE POLYMORPHISM ANALYSIS OF HIGHLY POLYMORPHIC TARGET SEQUENCES Epoch Biosciences, Inc. (US) 2006-06-21 EP disclosed
US-20050118623-A1 Single nucleotide polymorphism analysis of highly polymorphic target sequences EPOCH BIOSCIENCES, INC. (US) 2005-06-02 US disclosed
WO-2005035545-A2 SINGLE NUCLEOTIDE POLYMORPHISM ANALYSIS OF HIGHLY POLYMORPHIC TARGET SEQUENCES EPOCH BIOSCIENCES, INC. (US) 2005-04-21 WO disclosed
EP-1109809-B1 PYRROLOQUINOLINES FOR TREATMENT OF OBESITY CEREBRUS PHARM LTD (GB) 2004-11-17 EP disclosed
EP-1023268-B1 ISOQUINOLINES AS UROKINASE INHIBITORS PFIZER LTD (GB) 2003-05-21 EP disclosed
US-6365598-B1 FOR THERAPY AND PROPHYLAXIS OF DISORDERS OF THE CENTRAL NERVOUS SYSTEM; DAMAGE TO THE CENTRAL NERVOUS SYSTEM; CARDIOVASCULAR DISORDERS; GASTROINTESTINAL DISORDERS; DIABETES INSIPIDUS; AND SLEEP APNEA VERNALIS RESEARCH LIMITED (GB) 2002-04-02 US disclosed
EP-1109809-A1 PYRROLOQUINOLINES FOR TREATMENT OF OBESITY Cerebrus Pharmaceuticals Limited (GB) 2001-06-27 EP disclosed
US-6248738-B1 ANTIULCER AGENTS, ANGIOGENESIS INHIBITORS, ANTIMETASTASIS AGENTS, ANTITUMOR AGENTS PFIZER INC. 2001-06-19 US disclosed
EP-1023268-A1 ISOQUINOLINES AS UROKINASE INHIBITORS Pfizer Limited (GB) 2000-08-02 EP disclosed
WO-2000012502-A1 PYRROLOQUINOLINES FOR TREATMENT OF OBESITY VERNALIS RESEARCH LIMITED (GB) 2000-03-09 WO disclosed
WO-1999020608-A1 ISOQUINOLINES AS UROKINASE INHIBITORS PFIZER LIMITED (GB) 1999-04-29 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 (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-11858937-B2 Substituted pyrazolo[1,5-a]pyrimidines and pyrazolo[1,5-a][1,3,5]triazines as CDK inhibitors CDKL5, CDK15, CDK5 CYP1A2 853/4885CYP2A6 1350/4885TDP1 195/4885
US-20050118623-A1 Single nucleotide polymorphism analysis of highly polymorphic target sequences TSG101, CD74, HLA-DRB1 CYP1A2 4395/4885CYP2A6 2886/4885TDP1 304/4885

“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.