SCHEMBL4450414

SCHEMBL4450414

Cc1c(S(=O)(=O)C2=CC=CNN2)oc2ccc(Cl)cc12.O=c1cccn[nH]1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 11/20 0.54
HTR6 P50406 1/20 0.34
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33
CLK1 P49759 1/20 0.33
GFER P55789 1/20 0.33
KMT2A Q03164 1/20 0.33
MCL1 Q07820 1/20 0.33
PKM P14618 1/20 0.32
RXFP1 Q9HBX9 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
SCHEMBL27598389 0.85 AKR1B1 (0.51) AKR1B1HTR6MEN1POLBCLK1
SCHEMBL6646151 0.72 AKR1B1 (0.60) AKR1B1HTR6MEN1POLBCLK1
SCHEMBL30977156 0.71 AKR1B1 (1.00) AKR1B1
SCHEMBL690925 0.71 AKR1B1 (1.00) AKR1B1
SCHEMBL6646147 0.66 AKR1B1 (0.49) AKR1B1HTR6MEN1POLBCLK1
SCHEMBL3687096 0.64 AKR1B1 (0.56) AKR1B1HTR6MEN1POLBCLK1
SCHEMBL3684433 0.63 MCL1 (0.56) AKR1B1HTR6MEN1POLBCLK1
SCHEMBL13484254 0.63 AKR1B1 (0.65) AKR1B1HTR6MEN1POLBCLK1
SCHEMBL4455756 0.62 AKR1B1 (1.00) AKR1B1
SCHEMBL27598387 0.62 AKR1B1 (0.57) AKR1B1HTR6MEN1POLBCLK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 3/4885HTR6 392/4885MEN1 3777/4885
US-20030162784-A1 Pyridazinone aldose reductase inhibitors SLC5A1, ALDOA, AKR1B1 AKR1B1 3/4885HTR6 392/4885MEN1 3777/4885
US-20020143017-A1 Pyridazinone aldose reductase inhibitors SLC5A1, AKR1B1, AKR1D1 AKR1B1 2/4885HTR6 595/4885MEN1 3535/4885
US-20050004124-A1 THERAPIES RELATING TO COMBINATIONS OF ALDOSE REDUCTASE INHIBITORS AND CYCLOOXYGENASE-2 INHIBITORS ALDOA, AKR1B1, ALDH2 AKR1B1 2/4885HTR6 2204/4885MEN1 4510/4885
US-20040198740-A1 Therapies relating to combinations of aldose reductase inhibitors and cyclooxygenase-2 ALDOA, ALDH2, AKR1B1 AKR1B1 3/4885HTR6 1996/4885MEN1 4414/4885

“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.