SCHEMBL3535803

SCHEMBL3535803

Cc1[c]oc2ccc(Cl)cc12

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AHR P35869 7/20 0.41
MCL1 Q07820 2/20 0.41
ADORA3 P0DMS8 1/20 0.36
CYP2A6 P11509 1/20 0.36
ALDH1A1 P00352 4/20 0.36
LMNA P02545 2/20 0.36
KMT2A Q03164 1/20 0.36
GPR55 Q9Y2T6 1/20 0.36
ADCY1 Q08828 1/20 0.35
KCNH2 Q12809 1/20 0.35
MAOB P27338 1/20 0.35
KDM4E B2RXH2 2/20 0.34
HPGD P15428 2/20 0.34
HSD17B10 Q99714 1/20 0.34
PTPN1 P18031 1/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL3602274 0.79 MAPT (0.36) ALDH1A1KMT2AKDM4EHPGDHSD17B10
SCHEMBL27944091 0.76 AHR (0.41) AHRALDH1A1LMNAKMT2AGPR55
SCHEMBL693617 0.76 GABRP (0.35) LMNAKMT2AMAOBPTPN1
SCHEMBL3532152 0.73 ALDH1A1 (0.49) ALDH1A1LMNAKMT2AKDM4EHPGD
SCHEMBL4458452 0.71 ADORA3 (0.46) AHRADORA3ALDH1A1LMNAKMT2A
SCHEMBL221025 0.70 CYP1A2 (0.36) CYP2A6ALDH1A1LMNAKMT2AMAOB
SCHEMBL27404011 0.68 TP53 (0.39) AHRMCL1CYP2A6ALDH1A1LMNA
SCHEMBL9677330 0.67 KAT2B (0.40) ALDH1A1LMNAKDM4EHPGDSMN1; SMN2
SCHEMBL4034664 0.67 MAOB (0.38) CYP2A6ALDH1A1LMNAKMT2AMAOB
SCHEMBL2282515 0.66 AHR (0.78) AHRMCL1ADORA3ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7572910-B2 Pyridazinone aldose reductase inhibitors PFIZER, INC. (US) 2009-08-11 US claimed
EP-1491540-B1 Intermediates useful for the synthesis of pyridazinone aldose reductase inhibitors PFIZER PROD INC (US) 2006-12-13 EP claimed
US-20050113381-A1 Pyridazinone aldose reductase inhibitors MYLARI BANAVARA L (US) 2005-05-26 US 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
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-7662811-B2 N-(((5R)-5-((1-methylethyl)amino)-5,6,7,8-tetrahydro-2-naphthalenyl)methyl)-2-((2R)-1-((4-methylphenyl)sulfonyl)-3-oxo-1,2,3,4-tetrahydro-2-pyrazinyl)acetamide; for treatment of pain and diseases, such as inflammation mediated diseases AMGEN INC. (US) 2010-02-16 US disclosed
US-7612060-B2 Triazoles and methods of use AMGEN INC. (US) 2009-11-03 US disclosed
US-7572910-B2 Pyridazinone aldose reductase inhibitors PFIZER, INC. (US) 2009-08-11 US disclosed
US-20090054460-A1 Piperazine derivatives and methods of use CHEN JIAN J 2009-02-26 US disclosed
US-20090048224-A1 COMPOUNDS AND METHODS OF USE AMGEN, INC. (US) 2009-02-19 US disclosed
WO-2004092116-A1 BICYCLIC COMPOUNDS HAVING BRADYKININ RECEPTORS AFFINITY AND PHARMACEUTICAL COMPOSITIONS THEREOF AMGEN, INC. (US) 2004-10-28 WO 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 (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-20090048224-A1 COMPOUNDS AND METHODS OF USE LTC4S, PTGES, LTB4R2 AHR 624/4885MCL1 2214/4885ADORA3 849/4885
US-20050113381-A1 Pyridazinone aldose reductase inhibitors SLC5A1, ALDOA, AKR1B1 AHR 3095/4885MCL1 4625/4885ADORA3 99/4885
US-20030162784-A1 Pyridazinone aldose reductase inhibitors SLC5A1, ALDOA, AKR1B1 AHR 3095/4885MCL1 4625/4885ADORA3 99/4885
US-20020143017-A1 Pyridazinone aldose reductase inhibitors SLC5A1, AKR1B1, AKR1D1 AHR 2958/4885MCL1 4705/4885ADORA3 152/4885
US-20090054460-A1 Piperazine derivatives and methods of use PTGES, PTGES2, PTGIS AHR 91/4885MCL1 1980/4885ADORA3 1267/4885

“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.