SCHEMBL463373

SCHEMBL463373

O=C(O)CC1N=NC(=O)c2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 1/20 0.39
CYP1A2 P05177 1/20 0.37
TSHR P16473 1/20 0.37
EDNRB P24530 1/20 0.37
EDNRA P25101 1/20 0.37
HSD17B10 Q99714 2/20 0.36
EGFR P00533 1/20 0.36
CA12 O43570 1/20 0.35
CA9 Q16790 1/20 0.35
ALDH1A1 P00352 2/20 0.35
ATM Q13315 1/20 0.34
DNMT3B Q9UBC3 1/20 0.34
HSP90AA1 P07900 1/20 0.34
PAX8 Q06710 1/20 0.34
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33
KMT2A Q03164 1/20 0.33
MAPT P10636 1/20 0.33
CDC25B P30305 1/20 0.33
HDAC3 O15379 1/20 0.33

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
SCHEMBL11416663 0.81 MEN1 (0.36) EDNRBEDNRAHSD17B10ALDH1A1MEN1
SCHEMBL8559782 0.79 TDO2 (0.38) CYP1A2TSHREDNRBEDNRAHSD17B10
SCHEMBL4213119 0.79 MAOB (0.39) ALDH1A1MEN1POLBKMT2AMAPT
SCHEMBL21533082 0.78 MEN1 (0.36) CYP1A2TSHRALDH1A1MEN1POLB
SCHEMBL11412655 0.74 METAP1 (0.40)
SCHEMBL8780449 0.73 BCHE (0.38) CYP1A2ALDH1A1MAPT
SCHEMBL6474398 0.72 CYP19A1 (0.44) CYP1A2TSHRMAPT
SCHEMBL6314591 0.72 MEN1 (0.40) EDNRBEDNRAHSD17B10ALDH1A1ATM
SCHEMBL3649102 0.70 EDNRB (0.32) EDNRBEDNRAALDH1A1MEN1POLB
SCHEMBL10670754 0.69 MEN1 (0.38) EDNRBEDNRAALDH1A1MEN1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2593456-B1 ALDOSE REDUCTASE INHIBITORS AND USES THEREOF UNIV COLUMBIA (US) 2016-11-30 EP disclosed
US-20120270912-A1 Substituted Indolealkanoic Acids JONES MICHAEL LEE (US) 2012-10-25 US disclosed
US-8163932-B2 Substituted indolealkanoic acids ALINEA PHARMACEUTICALS, INC. (US) 2012-04-24 US disclosed
US-20120065203-A1 Methods of Reducing Serum Glucose and Triglyceride Levels and for Inhibiting Angiogenesis Using Substituted Indolealkanoic Acids THE INSTITUTE FOR PHARMACEUTICAL DISCOVERY, LLC (US) 2012-03-15 US disclosed
US-20100324105-A1 Methods of Reducing Serum Glucose and Triglyceride Levels and for Inhibiting Angiogenesis Using Substituted Indolealkanoic Acids THE INSTITUTE FOR PHARMACEUTICAL DISCOVERY, LLC 2010-12-23 US disclosed
US-20100324039-A1 Substituted Indolealkanoic Acids THE INSTITUTE FOR PHARMACEUTICAL DISCOVERY, LLC 2010-12-23 US disclosed
US-20100137301-A1 Substituted Indolealkanoic Acids THE INSTITUTE FOR PHARMACEUTICAL DISCOVERY, LLC 2010-06-03 US disclosed
US-7659269-B2 Substituted indolealkanoic acids THE INSTITUTE FOR PHARMACEUTICAL DISCOVERY, LLC (US) 2010-02-09 US disclosed
US-7572910-B2 Pyridazinone aldose reductase inhibitors PFIZER, INC. (US) 2009-08-11 US disclosed
US-20080214540-A1 3-[(phenyl or benzothiazol-2-yl)methyl]indole-N-acetic acids and esters; analgesics; aldose reductase inhibitors; diabetes complications including cataracts, retinopathy, nephropathy, and neuropathy; side effect reduction THE INSTITUTE FOR PHARMACEUTICAL DISCOVERY, LLC 2008-09-04 US disclosed
EP-0322153-A2 Heterocyclic oxophtalazinyl acetic acids PFIZER INC. (US) 1989-06-28 EP disclosed
EP-0322153-A2 Heterocyclic oxophtalazinyl acetic acids PFIZER INC. (US) 1989-06-28 EP disclosed
EP-0313202-A2 Process for preparing halomethyl thiazoles PFIZER INC. (US) 1989-04-26 EP disclosed
EP-0313202-A2 Process for preparing halomethyl thiazoles PFIZER INC. (US) 1989-04-26 EP disclosed
EP-0295051-A2 Preparation of oxophthalazinyl acetic acids having benzothiazole or other heterocyclic side chains PFIZER INC. (US) 1988-12-14 EP disclosed
EP-0295051-A2 Preparation of oxophthalazinyl acetic acids having benzothiazole or other heterocyclic side chains PFIZER INC. (US) 1988-12-14 EP disclosed
EP-0295051-A2 Preparation of oxophthalazinyl acetic acids having benzothiazole or other heterocyclic side chains PFIZER INC. (US) 1988-12-14 EP disclosed
EP-0222576-A2 Heterocyclic oxophthalazinyl acetic acids PFIZER INC. (US) 1987-05-20 EP disclosed
EP-0222576-A2 Heterocyclic oxophthalazinyl acetic acids PFIZER INC. (US) 1987-05-20 EP disclosed
EP-0222576-A2 Heterocyclic oxophthalazinyl acetic acids PFIZER INC. (US) 1987-05-20 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 (6 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-20120065203-A1 Methods of Reducing Serum Glucose and Triglyceride Levels and for Inhibiting Angiogenesis Using Substituted Indolealkanoic Acids LIPG, PNLIP, LIPA APEX1 3026/4885CYP1A2 2720/4885TSHR 967/4885
US-20100324039-A1 Substituted Indolealkanoic Acids GPR119, AANAT, AADAT APEX1 3225/4885CYP1A2 1103/4885TSHR 1010/4885
US-20100324105-A1 Methods of Reducing Serum Glucose and Triglyceride Levels and for Inhibiting Angiogenesis Using Substituted Indolealkanoic Acids LIPG, PNLIP, LIPA APEX1 3026/4885CYP1A2 2720/4885TSHR 967/4885
US-20100137301-A1 Substituted Indolealkanoic Acids GPR119, AANAT, AADAT APEX1 3225/4885CYP1A2 1103/4885TSHR 1010/4885
US-20120270912-A1 Substituted Indolealkanoic Acids GPR119, AANAT, AADAT APEX1 3225/4885CYP1A2 1103/4885TSHR 1010/4885
US-20080214540-A1 3-[(phenyl or benzothiazol-2-yl)methyl]indole-N-acetic acids and esters; analgesics; aldose reductase inhibitors; diabetes complications including cataracts, retinopathy, nephropathy, and neuropathy; side effect reduction AKR1C3, AKR1C2, AKR1B1 APEX1 3528/4885CYP1A2 319/4885TSHR 1026/4885

“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.