SCHEMBL4458452

SCHEMBL4458452

Clc1ccc2o[c]c(-c3ccccc3)c2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 2/20 0.46
TNKS O95271 1/20 0.46
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
SMN1; SMN2 Q16637 3/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 1/20 0.41
CASP3 P42574 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
KMT2A Q03164 3/20 0.40
KDM4E B2RXH2 2/20 0.40
GABRP O00591 2/20 0.39
GABRD O14764 2/20 0.39
GABRA1 P14867 2/20 0.39
GABRB1 P18505 2/20 0.39
GABRG2 P18507 2/20 0.39
GABRB3 P28472 2/20 0.39
GABRA5 P31644 2/20 0.39
GABRA3 P34903 2/20 0.39

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
SCHEMBL2958656 0.77 CA1 (0.36) ADORA3TNKSCA1CA2SMN1; SMN2
SCHEMBL9624356 0.77 ABCB1 (0.51) TNKSCA1CA2SMN1; SMN2ALDH1A1
SCHEMBL3535803 0.71 AHR (0.41) ADORA3SMN1; SMN2ALDH1A1HPGDKMT2A
SCHEMBL19803010 0.68 ADORA3 (0.57) ADORA3TNKSCA1CA2SMN1; SMN2
SCHEMBL8325 0.68 GABRP (0.49) SMN1; SMN2ALDH1A1KMT2AKDM4EGABRP
SCHEMBL4461095 0.67 NPC1 (0.52) ADORA3TNKSCA1CA2SMN1; SMN2
SCHEMBL7972361 0.67 CYP2A6 (0.36) ADORA3KMT2ALMNACYP1A2MEN1
SCHEMBL15283206 0.66 MEN1 (0.47) CA1CA2SMN1; SMN2ALDH1A1HPGD
SCHEMBL25824715 0.66 ADORA3 (0.65) ADORA3TNKSCA1CA2SMN1; SMN2
SCHEMBL28107099 0.66 SMN1; SMN2 (0.53) ADORA3TNKSCA1CA2SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-1373259-B1 PYRIDAZINONE ALDOSE REDUCTASE INHIBITORS PFIZER PROD INC (US) 2004-12-29 EP claimed
EP-1373259-A1 PYRIDAZINONE ALDOSE REDUCTASE INHIBITORS Pfizer Products Inc. (US) 2004-01-02 EP claimed
US-20030162784-A1 Pyridazinone aldose reductase inhibitors MYLARI BANAVARA L (US) 2003-08-28 US claimed
WO-2002079198-A1 PYRIDAZINONE ALDOSE REDUCTASE INHIBITORS PFIZER PRODUCTS INC. (US) 2002-10-10 WO 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
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
EP-1373259-B1 PYRIDAZINONE ALDOSE REDUCTASE INHIBITORS PFIZER PROD INC (US) 2004-12-29 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-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 (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-20050113381-A1 Pyridazinone aldose reductase inhibitors SLC5A1, ALDOA, AKR1B1 ADORA3 99/4885TNKS 1708/4885CA1 3476/4885
US-20030162784-A1 Pyridazinone aldose reductase inhibitors SLC5A1, ALDOA, AKR1B1 ADORA3 99/4885TNKS 1708/4885CA1 3476/4885
US-20020143017-A1 Pyridazinone aldose reductase inhibitors SLC5A1, AKR1B1, AKR1D1 ADORA3 152/4885TNKS 877/4885CA1 3972/4885

“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.