SCHEMBL13449657

SCHEMBL13449657

COc1ccc(N=[N+]=[N-])cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 3/20 0.50
▸ CA2 P00918 3/20 0.50
▸ CA9 Q16790 3/20 0.50
▸ CA7 P43166 2/20 0.50
▸ CA12 O43570 1/20 0.50
▸ CA14 Q9ULX7 1/20 0.50
▸ NOS3 P29474 2/20 0.47
▸ HTR3E A5X5Y0 1/20 0.47
▸ HTR3B O95264 1/20 0.47
▸ HTR3A P46098 1/20 0.47
▸ HTR3D Q70Z44 1/20 0.47
▸ HTR3C Q8WXA8 1/20 0.47
▸ TP53 P04637 2/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ CA5A P35218 1/20 0.44
▸ CA5B Q9Y2D0 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ SCD O00767 1/20 0.43
▸ ACHE P22303 1/20 0.42
▸ TDP1 Q9NUW8 3/20 0.41

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
Methane SCHEMBL28299317 0.98 CA1 (0.48) CA1CA2CA9CA7CA12
SCHEMBL15092785 0.82 SCD (0.40) CA1CA2CA9CA7CA12
SCHEMBL13650681 0.81 CA1 (0.47) CA1CA2CA9CA7TP53
SCHEMBL16748959 0.80 CA1 (0.58) CA1CA2CA9CA7CA12
SCHEMBL28797040 0.78 CA1 (0.38) CA1CA2CA9TP53CA5A
SCHEMBL26628331 0.78 KDM4E (0.43) CA1CA2CA9CA7CA12
SCHEMBL13637585 0.77 NQO1 (0.56) SMN1; SMN2TSHRTDP1PTGS2ALDH1A1
SCHEMBL13627721 0.77 CA1 (0.40) CA1CA2CA9TP53CA5A
SCHEMBL14381288 0.75 CYP2C9 (0.51) CA1CA2CA9CA7CA12
SCHEMBL15684335 0.75 CYP2C9 (0.51) CA1CA2CA9CA7CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111454296-B Palladium complex containing meta-carborane triazole ligand and preparation method and application thereof 上海应用技术大学 2023-04-28 — — CN claimed
CN-111732613-A Ferric iron complex containing meta-carborane ligand and preparation method and application thereof 上海应用技术大学 2020-10-02 — — CN claimed
CN-111454296-A Palladium complex containing m-carborane triazole ligand and preparation method and application thereof 上海应用技术大学 2020-07-28 — — CN claimed
CN-111454298-A Nickel complex containing m-carborane triazole ligand and preparation method and application thereof 上海应用技术大学 2020-07-28 — — CN claimed
US-12473263-B2 Bicyclic inhibitors of CBX chromodomains ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2025-11-18 — — US disclosed
US-12384763-B2 Protein and/or peptide modification molecule OSAKA UNIVERSITY (JP) 2025-08-12 — — US disclosed
CN-116082253-B 1-N-substituted 1,2, 3-triazole-4-carboxamide derivative and preparation method thereof 浙大城市学院 2025-04-25 — — CN disclosed
WO-2025048243-A1 NOVEL ISOXAZOLE COMPOUND AS TM4SF5-SPECIFIC INHIBITOR AND USE THEREOF 서울대학교산학협력단 2025-03-06 — — WO disclosed
WO-2024086767-A2 GLYCAN CONJUGATE COMPOSITIONS AND METHODS GANNA BIO, INC. (US) 2024-04-25 — — WO disclosed
CN-117624166-A Triazole derivative and preparation method and application thereof 苏州朗睿生物医药有限公司 2024-03-01 — — CN disclosed
CN-116947770-A Method for synthesizing 4-cyano-1, 2, 3-triazole compound through 2, 2-trifluoroethyl ketone 平顶山学院 2023-10-27 — — CN disclosed
EP-3875151-B1 ALPHA-METHYL-SUBSTITUTED DIAZABICYCLO [4.3.1] DECANE DERIVATES FOR TREATMENT OF PSYCHIATRIC DISORDERS UNIV DARMSTADT TECH (DE) 2023-09-20 — — EP disclosed
US-20090269555-A1 SURFACE NANOPATTERNING THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-10-29 — — US disclosed
WO-2009110007-A1 SPIRO DERIVATIVES OF PARTHENIN AS NOVEL ANTICANCER AGENTS COUNCIL QF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2009-09-11 — — WO disclosed
WO-2009105746-A2 TRIAZOLES AND PROCESSES FOR PRODUCING THE SAME UNIVERSITY OF SOUTH FLORIDA (US) 2009-08-27 — — WO disclosed
US-7524408-B2 photoreduction of an azide, photodecarbozylation of a carboxylic acid, photodenitrogenation and Wolff rearrangement of a diazoketone, and the photoreduction of an aromatic nitrocompound; charged nanoparticle from CdS and CdSe compounds as path-directable nanoparticle; THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-04-28 — — US disclosed
US-7186738-B2 Antibacterial oxalidinones ASTRAZENECA AB (SE) 2007-03-06 — — US disclosed
US-20060079695-A1 antibiotics such as (5R)-3-[3-Fluoro-4-(3-methylisoxazol-5-yl)phenyl]-5-(1H-1,2,3-triazol-1-ylmethyl)-1,3-oxazolidin-2-one, having effective activity against both grampositive and gramnegative pathogens ASTRAZENECA AB (SE) 2006-04-13 — — US disclosed
EP-1603903-A1 ANTIBACTERIAL OXALIDINONES AstraZeneca AB (SE) 2005-12-14 — — EP disclosed
WO-2004083206-A1 ANTIBACTERIAL OXALIDINONES ASTRAZENECA AB (SE) 2004-09-30 — — 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-12473263-B2 Bicyclic inhibitors of CBX chromodomains CBX2, CBX3, CBX6 CA1 482/4885CA2 494/4885CA9 1023/4885
US-20060079695-A1 antibiotics such as (5R)-3-[3-Fluoro-4-(3-methylisoxazol-5-yl)phenyl]-5-(1H-1,2,3-triazol-1-ylmethyl)-1,3-oxazolidin-2-one, having effective activity against both grampositive and gramnegative pathogens HRH1, HRH2, HDHD5 CA1 1620/4885CA2 2814/4885CA9 746/4885
US-12384763-B2 Protein and/or peptide modification molecule PTMS, DNPEP, NPPA CA1 342/4885CA2 1864/4885CA9 2126/4885

“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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