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SCHEMBL4454496

SCHEMBL4454496

Cc1c([S+]([O-])c2ccc(=O)[nH]n2)oc2ccc(Cl)cc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKR1B1 P15121 12/20 0.55
▸ MCL1 Q07820 1/20 0.40
▸ KCNH2 Q12809 1/20 0.36
▸ CDC7 O00311 1/20 0.35
▸ DYRK3 O43781 1/20 0.35
▸ IGF1R P08069 1/20 0.35
▸ PIM1 P11309 1/20 0.35
▸ CLK2 P49760 1/20 0.35
▸ GSK3A P49840 1/20 0.35
▸ GSK3B P49841 1/20 0.35
▸ CSNK2A1 P68400 1/20 0.35
▸ DYRK1A Q13627 1/20 0.35
▸ PKN2 Q16513 1/20 0.35
▸ PIM3 Q86V86 1/20 0.35
▸ CLK4 Q9HAZ1 1/20 0.35
▸ PIM2 Q9P1W9 1/20 0.35
▸ ADORA3 P0DMS8 1/20 0.34
▸ NOTUM Q6P988 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ NPC1 O15118 1/20 0.34

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
SCHEMBL4448936 0.75 MCL1 (0.39) AKR1B1MCL1KCNH2CSNK2A1NPC1
SCHEMBL4462839 0.71 AKR1B1 (0.60) AKR1B1MCL1KCNH2CDC7DYRK3
SCHEMBL690925 0.71 AKR1B1 (1.00) AKR1B1
SCHEMBL30977156 0.71 AKR1B1 (1.00) AKR1B1
SCHEMBL4455159 0.68 AKR1B1 (0.67) AKR1B1
SCHEMBL25824628 0.63 MCL1 (0.56) AKR1B1MCL1KCNH2ADORA3KMT2A
SCHEMBL719067 0.62 MCL1 (0.55) AKR1B1MCL1KCNH2ADORA3MEN1
SCHEMBL14409919 0.62 MCL1 (0.59) AKR1B1MCL1KCNH2DYRK1AADORA3
SCHEMBL4456376 0.61 AKR1B1 (1.00) AKR1B1
SCHEMBL4451833 0.61 AKR1B1 (1.00) AKR1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1491540-B1 Intermediates useful for the synthesis of pyridazinone aldose reductase inhibitors PFIZER PROD INC (US) 2006-12-13 — — EP claimed
US-6849629-B2 Heteroaromatic substituted sulfonyl or sulfoxide or thio-pyridazinone derivatives, useful for treating diabetic complications and cardiovascular disorders PFIZER, INC. (US) 2005-02-01 — — US claimed
US-20030162784-A1 Pyridazinone aldose reductase inhibitors MYLARI BANAVARA L (US) 2003-08-28 — — US claimed
US-20020143017-A1 Pyridazinone aldose reductase inhibitors MYLARI BANAVARA L (US) 2002-10-03 — — US claimed
US-7572910-B2 Pyridazinone aldose reductase inhibitors PFIZER, INC. (US) 2009-08-11 — — US disclosed
EP-1491541-B1 Pyridazinone aldose reductase inhibitors PFIZER PROD INC (US) 2007-01-24 — — EP disclosed
EP-1491540-B1 Intermediates useful for the synthesis of pyridazinone aldose reductase inhibitors PFIZER PROD INC (US) 2006-12-13 — — EP disclosed
US-20050113381-A1 Pyridazinone aldose reductase inhibitors MYLARI BANAVARA L (US) 2005-05-26 — — US disclosed
US-6849629-B2 Heteroaromatic substituted sulfonyl or sulfoxide or thio-pyridazinone derivatives, useful for treating diabetic complications and cardiovascular disorders PFIZER, INC. (US) 2005-02-01 — — US disclosed
US-20050004124-A1 THERAPIES RELATING TO COMBINATIONS OF ALDOSE REDUCTASE INHIBITORS AND CYCLOOXYGENASE-2 INHIBITORS MYLARI BANAVARA L (US) 2005-01-06 — — US disclosed
EP-1373259-B1 PYRIDAZINONE ALDOSE REDUCTASE INHIBITORS PFIZER PROD INC (US) 2004-12-29 — — EP disclosed
US-20040198740-A1 Therapies relating to combinations of aldose reductase inhibitors and cyclooxygenase-2 PFIZER INC 2004-10-07 — — US disclosed
CN-1505514-A Combination of aldose reductase inhibitors with cyclooxygenase-2 inhibitors �Ʒ� 2004-06-16 — — CN disclosed
EP-1392310-A1 COMBINATIONS OF ALDOSE REDUCTASE INHIBITORS AND CYCLOOXYGENASE-2 INHIBITORS Pfizer Products Inc. (US) 2004-03-03 — — EP disclosed
EP-1373259-A1 PYRIDAZINONE ALDOSE REDUCTASE INHIBITORS Pfizer Products Inc. (US) 2004-01-02 — — EP disclosed
US-20030162784-A1 Pyridazinone aldose reductase inhibitors MYLARI BANAVARA L (US) 2003-08-28 — — US disclosed
US-6579879-B2 Pyridazinone aldose reductase inhibitors PFIZER INC 2003-06-17 — — US disclosed
WO-2002087584-A1 COMBINATIONS OF ALDOSE REDUCTASE INHIBITORS AND CYCLOOXYGENASE-2 INHIBITORS PFIZER PRODUCTS INC. (US) 2002-11-07 — — WO disclosed
WO-2002079198-A1 PYRIDAZINONE ALDOSE REDUCTASE INHIBITORS PFIZER PRODUCTS INC. (US) 2002-10-10 — — WO disclosed
US-20020143017-A1 Pyridazinone aldose reductase inhibitors MYLARI BANAVARA L (US) 2002-10-03 — — 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 (5 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-20050113381-A1 Pyridazinone aldose reductase inhibitors SLC5A1, ALDOA, AKR1B1 AKR1B1 3/4885MCL1 4625/4885KCNH2 593/4885
US-20030162784-A1 Pyridazinone aldose reductase inhibitors SLC5A1, ALDOA, AKR1B1 AKR1B1 3/4885MCL1 4625/4885KCNH2 593/4885
US-20020143017-A1 Pyridazinone aldose reductase inhibitors SLC5A1, AKR1B1, AKR1D1 AKR1B1 2/4885MCL1 4705/4885KCNH2 705/4885
US-20050004124-A1 THERAPIES RELATING TO COMBINATIONS OF ALDOSE REDUCTASE INHIBITORS AND CYCLOOXYGENASE-2 INHIBITORS ALDOA, AKR1B1, ALDH2 AKR1B1 2/4885MCL1 3910/4885KCNH2 2137/4885
US-20040198740-A1 Therapies relating to combinations of aldose reductase inhibitors and cyclooxygenase-2 ALDOA, ALDH2, AKR1B1 AKR1B1 3/4885MCL1 3931/4885KCNH2 1998/4885

“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.