SCHEMBL13455319

SCHEMBL13455319

CC(C)c1ccc(N=[N+]=[N-])cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ 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
▸ TP53 P04637 1/20 0.44
▸ CYP2C9 P11712 1/20 0.42
▸ CYP51A1 Q16850 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ GRIN2D O15399 3/20 0.39
▸ GRIN3B O60391 3/20 0.39
▸ GRIN1 Q05586 3/20 0.39
▸ GRIN2A Q12879 3/20 0.39
▸ GRIN2B Q13224 3/20 0.39
▸ GRIN2C Q14957 3/20 0.39
▸ GRIN3A Q8TCU5 3/20 0.39
▸ SIGMAR1 Q99720 1/20 0.39
▸ PTGS2 P35354 1/20 0.39
▸ NOS3 P29474 2/20 0.38

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
SCHEMBL19962169 0.83 NOS3 (0.50) CA1CA2CA5ACA9CA5B
SCHEMBL16748959 0.80 CA1 (0.58) CA1CA2CA5ACA9CA5B
SCHEMBL28489709 0.79 CYP2C9 (0.49) CA1CA2CA5ACA9CA5B
SCHEMBL25043904 0.77 CA1 (0.44) CA1CA2CA5ACA9CA5B
SCHEMBL14868094 0.77 CYP2C9 (0.42) CYP2C9ALDH1A1SMN1; SMN2GRIN2DGRIN3B
SCHEMBL26004640 0.77 CYP2C9 (0.42) CYP2C9ALDH1A1SMN1; SMN2GRIN2DGRIN3B
SCHEMBL29625427 0.77 DHODH (0.38) TP53CYP2C9PTGS2NOX1PDE2A
SCHEMBL22501317 0.77 PTGS2 (0.50) CA1CA2CA5ACA9CA5B
SCHEMBL25751606 0.76 CYP2C9 (0.41) CYP2C9ALDH1A1SMN1; SMN2GRIN2DGRIN3B
SCHEMBL13978792 0.75 SIGMAR1 (0.44) CA1CA2CA5ACA9TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116462841-A High molecular weight brush polymer and preparation method and application thereof 中国科学院化学研究所 2023-07-21 — — CN claimed
US-20240139214-A1 AGENT FOR SUPPRESSING IL-31 PRODUCTION AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME KYUSHU UNIVERSITY, NATIONAL UNIVERSITY CORPORATION (JP) 2024-05-02 — — US disclosed
US-11858880-B2 Anti-fungals compounds targeting the synthesis of fungal sphingolipids THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2024-01-02 — — US disclosed
EP-4289422-A1 AGENT FOR SUPPRESSING IL-31 PRODUCTION AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME Kyushu University, National University Corporation (JP) 2023-12-13 — — EP disclosed
CN-117042759-A IL-31 production inhibitor and pharmaceutical composition containing the same 国立大学法人九州大学 2023-11-10 — — CN disclosed
US-20230357266-A1 PHOTOACTIVATABLE COMPOUNDS AND USES THEREOF PROMEGA CORPORATION 2023-11-09 — — US disclosed
US-20230271983-A1 FUNCTIONALIZED ISONITRILES AND PRODUCTS, PREPARATION AND USES THEREOF UNIVERSIDADE DE SANTIAGO DE COMPOSTELA (ES) 2023-08-31 — — US disclosed
US-11708346-B2 Treatment and prevention of neuropathic pain with P2Y14 antagonists SAINT LOUIS UNIVERSITY (US) 2023-07-25 — — US disclosed
CN-116462841-A High molecular weight brush polymer and preparation method and application thereof 中国科学院化学研究所 2023-07-21 — — CN disclosed
CN-116462841-A High molecular weight brush polymer and preparation method and application thereof 中国科学院化学研究所 2023-07-21 — — CN disclosed
EP-2067767-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same Gracel Display Inc. (KR) 2009-06-10 — — EP disclosed
US-20080312319-A1 Modulation of Bacterial Quorum Sensing with Synthetic Ligands NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2008-12-18 — — US disclosed
US-20080312319-A1 Modulation of Bacterial Quorum Sensing with Synthetic Ligands NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2008-12-18 — — 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-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-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-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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (9 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 CA1 844/4885CA2 2048/4885CA5A 660/4885
US-20230357266-A1 PHOTOACTIVATABLE COMPOUNDS AND USES THEREOF BTD, HLCS, TYR CA1 4813/4885CA2 4692/4885CA5A 4540/4885
US-11708346-B2 Treatment and prevention of neuropathic pain with P2Y14 antagonists P2RY14, P2RY4, P2RY13 CA1 3403/4885CA2 1315/4885CA5A 3625/4885
US-20070299059-A1 Compostions and methods relating to novel compounds and targets thereof CASP1, BAX, BAD CA1 270/4885CA2 1063/4885CA5A 322/4885
US-20080312319-A1 Modulation of Bacterial Quorum Sensing with Synthetic Ligands AHCYL1, EBPL, AIP CA1 3457/4885CA2 2034/4885CA5A 2982/4885
US-20230271983-A1 FUNCTIONALIZED ISONITRILES AND PRODUCTS, PREPARATION AND USES THEREOF KIT, MACF1, IK CA1 2961/4885CA2 3832/4885CA5A 2203/4885
US-20240139214-A1 AGENT FOR SUPPRESSING IL-31 PRODUCTION AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME IL36G, IL1RN, IL1B CA1 631/4885CA2 178/4885CA5A 1342/4885
US-11858880-B2 Anti-fungals compounds targeting the synthesis of fungal sphingolipids ERG28, UGCG, DPM1 CA1 4166/4885CA2 2269/4885CA5A 2398/4885
US-20080269203-A1 COMPOSITIONS AND METHODS RELATING TO NOVEL COMPOUNDS AND TARGETS THEREOF BAX, BAD, GABRB3 CA1 844/4885CA2 2048/4885CA5A 660/4885

“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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