SCHEMBL218235

SCHEMBL218235

C1=COc2ncccc2O1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
LTA4H P09960 4/20 0.35
KDM4E B2RXH2 3/20 0.32
MAPT P10636 3/20 0.32
GMNN O75496 1/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
HSP90AA1 P07900 1/20 0.32
MMP2 P08253 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
MMP9 P14780 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
NFKB1 P19838 1/20 0.32
MMP8 P22894 1/20 0.32
CCR1 P32246 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
SCHEMBL29568932 1.00 CA12 (0.38) CA12CA1CA2CA9LTA4H
Hydrochloric Acid SCHEMBL15269240 0.98 CA12 (0.37) CA12CA1CA2CA9LTA4H
Dioxane SCHEMBL23674613 0.92 SMN1; SMN2 (0.40) CA12CA1CA2CA9LTA4H
SCHEMBL3457558 0.81
SCHEMBL5033603 0.72
SCHEMBL220683 0.70
SCHEMBL1595435 0.70 CA12 (0.38) CA12CA1CA2CA9LTA4H
SCHEMBL2317954 0.70 LTA4H (0.38) CA12CA1CA2CA9LTA4H
Pyrazine SCHEMBL22491600 0.67 NOTUM (0.38) MAPTLMNAHTTSMN1; SMN2NPC1
SCHEMBL7609642 0.67

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2336315-B1 Enzymatic encoding methods for efficient synthesis of large libraries NUEVOLUTION AS (DK) 2017-07-19 EP claimed
EP-2336315-A2 Enzymatic encoding methods for efficient synthesis of large libraries Nuevolution A/S (DK) 2011-06-22 EP claimed
US-6987117-B2 Antidepressant azaheterocyclylmethyl derivatives of 1,4-dioxino[2,3-b]pyridine WYETH (US) 2006-01-17 US claimed
US-20040058953-A1 Antidepressant azaheterocyclylmethyl derivatives of 1,4-dioxino[2,3-b]pyridine TRAN MEGAN (US) 2004-03-25 US claimed
US-6656950-B2 For therapy of depression, obsessive compulsive disorder, panic attacks, generalized anxiety disorder, social anxiety disorder, sexual dysfunction, eating disorders, obesity, addictive disorders caused by ethanol or cocaine abuse WYETH 2003-12-02 US claimed
EP-0984934-B1 NOVEL ORALLY ACTIVE IRON (III) CHELATORS BTG INTERNAT LTD COMPANY NO 26 (GB) 2003-01-08 EP claimed
US-20020183355-A1 Antidepressant azaheterocyclylmethyl derivatives of 1,4-dioxino[2,3-b]pyridine WYETH (US) 2002-12-05 US claimed
WO-2002085911-A1 ANTIDEPRESSANT AZAHETEROCYCLYLMETHYL DERIVATIVES OF 1,4-DIOXINO[2,3-b]PYRIDINE WYETH (US) 2002-10-31 WO claimed
EP-0559285-A1 1,4-Dioxino 2,3-b pyridine derivatives having serotonergic activity Akzo Nobel N.V. (NL) 1993-09-08 EP claimed
EP-0227932-A1 Novel fused pyridine compounds, intermediates for the preparation of, and use of said compounds as herbicidal agents AMERICAN CYANAMID COMPANY (US) 1987-07-08 EP claimed
JP-6009641-A None JP disclosed
US-20260091147-A1 METHOD FOR DETECTING INNATE IMMUNE ACTION IN VIVO USING GPR84-PET THE BOARD OF TRUSTEES OF THE LELAND STANDFORD JUNIOR UNIV (US) 2026-04-02 US disclosed
WO-2025109540-A1 MACROCYCLIC COMPOUNDS AS KIF18A INHIBITORS AURIGENE ONCOLOGY LIMITED (IN) 2025-05-30 WO disclosed
WO-2024220480-A2 METHOD FOR DETECTING INNATE IMMUNE ACTION IN VIVO USING GPR84-PET THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2024-10-24 WO disclosed
US-11702652-B2 Enzymatic encoding methods for efficient synthesis of large libraries NUEVOLUTION A/S (DK) 2023-07-18 US disclosed
EP-0559285-A1 1,4-Dioxino 2,3-b pyridine derivatives having serotonergic activity Akzo Nobel N.V. (NL) 1993-09-08 EP disclosed
EP-0559285-A1 1,4-Dioxino 2,3-b pyridine derivatives having serotonergic activity Akzo Nobel N.V. (NL) 1993-09-08 EP disclosed
EP-0559285-A1 1,4-Dioxino 2,3-b pyridine derivatives having serotonergic activity Akzo Nobel N.V. (NL) 1993-09-08 EP disclosed
EP-0227932-B1 NOVEL FUSED PYRIDINE COMPOUNDS, INTERMEDIATES FOR THE PREPARATION OF, AND USE OF SAID COMPOUNDS AS HERBICIDAL AGENTS AMERICAN CYANAMID COMPANY (US) 1993-01-13 EP disclosed
EP-0227932-A1 Novel fused pyridine compounds, intermediates for the preparation of, and use of said compounds as herbicidal agents AMERICAN CYANAMID COMPANY (US) 1987-07-08 EP 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-20020183355-A1 Antidepressant azaheterocyclylmethyl derivatives of 1,4-dioxino[2,3-b]pyridine OPRD1, HSD17B11, OPRM1 CA12 3854/4885CA1 2960/4885CA2 4524/4885
US-20040058953-A1 Antidepressant azaheterocyclylmethyl derivatives of 1,4-dioxino[2,3-b]pyridine OPRD1, HSD17B11, OPRM1 CA12 3854/4885CA1 2960/4885CA2 4524/4885
US-20260091147-A1 METHOD FOR DETECTING INNATE IMMUNE ACTION IN VIVO USING GPR84-PET GPR84, GPR65, GPR88 CA12 1044/4885CA1 1235/4885CA2 2710/4885

“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.