SCHEMBL13455265

SCHEMBL13455265

CCc1ccc(N=[N+]=[N-])cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLAU P00749 1/20 0.47
▸ PTGS2 P35354 3/20 0.46
▸ CYP51A1 Q16850 2/20 0.46
▸ TP53 P04637 2/20 0.44
▸ CA1 P00915 1/20 0.44
▸ CA2 P00918 1/20 0.44
▸ CA5A P35218 1/20 0.44
▸ CA9 Q16790 1/20 0.44
▸ CA5B Q9Y2D0 1/20 0.44
▸ CYP2C9 P11712 1/20 0.42
▸ SCN1A P35498 1/20 0.41
▸ SCN2A Q99250 1/20 0.41
▸ SCN3A Q9NY46 1/20 0.41
▸ PDE2A O00408 1/20 0.40
▸ GRIN2D O15399 1/20 0.39
▸ GRIN3B O60391 1/20 0.39
▸ GRIN1 Q05586 1/20 0.39
▸ GRIN2A Q12879 1/20 0.39
▸ GRIN2B Q13224 1/20 0.39
▸ GRIN2C Q14957 1/20 0.39

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
SCHEMBL15290259 0.83 PTGS2 (0.44) PTGS2CYP51A1TP53CA1CA2
SCHEMBL15590856 0.81 CYP51A1 (0.49) PTGS2CYP51A1TP53CA1CA2
SCHEMBL30874461 0.81 CYP51A1 (0.49) PTGS2CYP51A1TP53CA1CA2
SCHEMBL16748959 0.80 CA1 (0.58) PTGS2CYP51A1TP53CA1CA2
SCHEMBL14394949 0.79 CYP3A4 (0.49) PTGS2CYP51A1TP53CA1CA2
SCHEMBL16479570 0.78 CYP3A4 (0.49) PTGS2TP53CA2CYP2C9LPL
SCHEMBL26048600 0.78 PTGS2 (0.41) PTGS2CYP51A1TP53CA1CA2
SCHEMBL23623817 0.77 CYP51A1 (0.50) PTGS2CYP51A1TP53CA1CA2
SCHEMBL13449507 0.77 TP53 (0.48) PTGS2CYP51A1TP53CA1CA2
SCHEMBL19145450 0.77 CYP51A1 (0.46) PTGS2CYP51A1TP53CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116283678-A Preparation method of C-fluoroalkyl substituted amidine compound and application of C-fluoroalkyl substituted amidine compound in resisting fungal diseases 中国农业大学 2023-06-23 — — CN claimed
CN-113527332-B Biological activity-possessed caspovir derivative, and preparation method and application thereof 南开大学 2022-07-26 — — CN claimed
CN-113527332-A Kabauvir derivative with biological activity and preparation method and application thereof 南开大学 2021-10-22 — — CN claimed
CN-113527333-A Dolutegravir derivative with biological activity and preparation method and application thereof 南开大学 2021-10-22 — — CN claimed
US-20230331751-A1 STEREOSELECTIVE MANUFACTURE OF SELECTED PURINE PHOSPHORAMIDATES Atea Pharmaceuticals, Inc. (US) 2023-10-19 — — US disclosed
CN-116789611-A Synthetic method of selectively deuterated marked 1,2, 3-triazole 海南师范大学 2023-09-22 — — CN disclosed
CN-116751172-A Synthesis method of diiodinated 1,2, 3-triazole compound 海南师范大学 2023-09-15 — — CN disclosed
CN-113061138-B Triazole [5,4-d ] pyrimidinone tricyclic compound, and preparation method and application thereof 中国科学院新疆理化技术研究所 2023-05-05 — — CN disclosed
CN-113999211-B Indazole skeleton derivative containing 1,2,3-triazole with specific activity of resisting prostate cancer 郑州大学 2022-11-29 — — CN disclosed
CN-113527333-B Dolutegravir derivative with biological activity and preparation method and application thereof 南开大学 2022-08-05 — — CN disclosed
CN-113527332-B Biological activity-possessed caspovir derivative, and preparation method and application thereof 南开大学 2022-07-26 — — CN disclosed
US-11173480-B2 Catalyst in which metal is carried on inorganic porous body having hierarchical porous structure, and method for manufacturing said catalyst SNG INC. (JP) 2021-11-16 — — US disclosed
US-20080269203-A1 COMPOSITIONS AND METHODS RELATING TO NOVEL COMPOUNDS AND TARGETS THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2008-10-30 — — US disclosed
US-20080221303-A1 Method for the Preparation of Peptide-Oligonucleotide Conjugates FRUTAROM LTD. (IL) 2008-09-11 — — US disclosed
US-20070299059-A1 Compostions and methods relating to novel compounds and targets thereof NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-12-27 — — US disclosed
US-7276348-B2 Compositions and methods relating to F1F0-ATPase inhibitors and targets thereof REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2007-10-02 — — US disclosed
US-20070135418-A1 Compositions and methods relating to novel compounds and targets thereof NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-06-14 — — US disclosed
US-20070043033-A1 Unsolvated benzodiazepine compositions and methods THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2007-02-22 — — US disclosed
CN-1825206-A Negative resist composition and patterning process SHINETSU CHEMICAL CO (JP) 2006-08-30 — — CN disclosed
US-20040116399-A1 Inhibitors of factor Xa MILLENNIUM PHARMACEUTICALS, INC. 2004-06-17 — — 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 (7 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-20070135418-A1 Compositions and methods relating to novel compounds and targets thereof BAX, BAD, GABRB3 PLAU 4712/4885PTGS2 922/4885CYP51A1 555/4885
US-20070299059-A1 Compostions and methods relating to novel compounds and targets thereof CASP1, BAX, BAD PLAU 4120/4885PTGS2 971/4885CYP51A1 159/4885
US-11173480-B2 Catalyst in which metal is carried on inorganic porous body having hierarchical porous structure, and method for manufacturing said catalyst TMEM63A, PORCN, PIEZO1 PLAU 2598/4885PTGS2 1785/4885CYP51A1 1385/4885
US-20080221303-A1 Method for the Preparation of Peptide-Oligonucleotide Conjugates VIP, PTMS, SSTR4 PLAU 1146/4885PTGS2 4705/4885CYP51A1 3261/4885
US-20070043033-A1 Unsolvated benzodiazepine compositions and methods GABRA5, GABRA3, GABRA6 PLAU 4271/4885PTGS2 2624/4885CYP51A1 268/4885
US-20230331751-A1 STEREOSELECTIVE MANUFACTURE OF SELECTED PURINE PHOSPHORAMIDATES NUDT1, PNP, ATIC PLAU 2323/4885PTGS2 3358/4885CYP51A1 2608/4885
US-20080269203-A1 COMPOSITIONS AND METHODS RELATING TO NOVEL COMPOUNDS AND TARGETS THEREOF BAX, BAD, GABRB3 PLAU 4712/4885PTGS2 922/4885CYP51A1 555/4885

“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.

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