SCHEMBL8848416

SCHEMBL8848416

O=[N+]([O-])c1cc(CO)cc(O)c1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 3/20 0.58
GPR35 Q9HC97 2/20 0.58
MEN1 O00255 2/20 0.58
ALDH1A1 P00352 2/20 0.58
MAPT P10636 2/20 0.58
HPGD P15428 2/20 0.58
RECQL P46063 2/20 0.58
KMT2A Q03164 2/20 0.58
KDM4E B2RXH2 1/20 0.58
CYP1A2 P05177 1/20 0.58
CYP2C9 P11712 1/20 0.58
ALOX15 P16050 1/20 0.58
ALOX12 P18054 1/20 0.58
MAPK1 P28482 1/20 0.58
PMP22 Q01453 1/20 0.58
HIF1A Q16665 1/20 0.58
HSD17B10 Q99714 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
XDH P47989 1/20 0.53
CA12 O43570 2/20 0.51

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
SCHEMBL9812448 0.90 GPR35 (0.57) TTRGPR35MEN1ALDH1A1MAPT
SCHEMBL31296199 0.85 TTR (0.46) TTRGPR35MEN1ALDH1A1MAPT
SCHEMBL8848721 0.83 TTR (0.56) TTRGPR35MEN1ALDH1A1MAPT
SCHEMBL12776819 0.83 GPR35 (0.56) TTRGPR35MEN1ALDH1A1MAPT
SCHEMBL9812439 0.83 KDM4E (0.53) TTRGPR35MEN1ALDH1A1MAPT
SCHEMBL8848361 0.83 TTR (0.56) TTRGPR35MEN1ALDH1A1MAPT
SCHEMBL26110717 0.81 ALOX15 (0.55) TTRGPR35MEN1ALDH1A1MAPT
SCHEMBL30593957 0.81 ALOX15 (0.55) TTRGPR35MEN1ALDH1A1MAPT
SCHEMBL30593958 0.81 ALOX15 (0.55) TTRGPR35MEN1ALDH1A1MAPT
SCHEMBL11156541 0.80 TTR (0.53) TTRGPR35MEN1ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0444899-B1 Catechol derivatives, their physiologically acceptable salts, esters and their use in the treatment of tissue damage induced by lipid peroxidation ORION YHTYMAE OY (FI) 1997-02-05 EP claimed
EP-0444899-A2 Catechol derivatives, their physiologically acceptable salts, esters and their use in the treatment of tissue damage induced by lipid peroxidation ORION-YHTYMÀ„ OY (FI) 1991-09-04 EP claimed
US-9622988-B2 Small molecule xanthine oxidase inhibitors and methods of use BAYLOR COLLEGE OF MEDICINE (US) 2017-04-18 US disclosed
US-9622988-B2 Small molecule xanthine oxidase inhibitors and methods of use BAYLOR COLLEGE OF MEDICINE (US) 2017-04-18 US disclosed
US-9610257-B2 Small molecule xanthine oxidase inhibitors and methods of use BAYLOR COLLEGE OF MEDICINE (US) 2017-04-04 US disclosed
US-9610257-B2 Small molecule xanthine oxidase inhibitors and methods of use BAYLOR COLLEGE OF MEDICINE (US) 2017-04-04 US disclosed
US-9585847-B2 Small molecule xanthine oxidase inhibitors and methods of use BAYLOR COLLEGE OF MEDICINE (US) 2017-03-07 US disclosed
US-9585847-B2 Small molecule xanthine oxidase inhibitors and methods of use BAYLOR COLLEGE OF MEDICINE (US) 2017-03-07 US disclosed
US-9585848-B2 Small molecule xanthine oxidase inhibitors and methods of use BAYLOR COLLEGE OF MEDICINE (US) 2017-03-07 US disclosed
US-9585848-B2 Small molecule xanthine oxidase inhibitors and methods of use BAYLOR COLLEGE OF MEDICINE (US) 2017-03-07 US disclosed
US-9580379-B2 Xanthine oxidase inhibitors and methods of use BAYLOR COLLEGE OF MEDICINE (US) 2017-02-28 US disclosed
US-20140163045-A1 Small Molecule Xanthine Oxidase Inhibitors and Methods of Use BAYLOR COLLEGE OF MEDICINE (US) 2014-06-12 US disclosed
CN-1040062-C Pharmacologically active compounds, methods for the preparing thereof and compositions containing same ORION YHTYMAE OY (FI) 1998-10-07 CN disclosed
EP-0444899-B1 Catechol derivatives, their physiologically acceptable salts, esters and their use in the treatment of tissue damage induced by lipid peroxidation ORION YHTYMAE OY (FI) 1997-02-05 EP disclosed
US-5489614-A MEDICINAL ANTIOXIDANTS USED IN PREVENTION AND TREATMENT OF TISSUE DAMAGE INDUCED BY LIPID PEROXIDATION ORION-YHTYMA OY (FI) 1996-02-06 US disclosed
US-5446194-A Pharmacologically active catechol derivatives ORION-YHTYMA OY (FI) 1995-08-29 US disclosed
US-5283352-A Transferase inhibitor ORION-YHTYMA OY (FI) 1994-02-01 US disclosed
US-5112861-A Inhibitors of catechol-methyl-transferase enzyme, levodopa ORION-YHTYMA OY (FI) 1992-05-12 US disclosed
EP-0444899-A2 Catechol derivatives, their physiologically acceptable salts, esters and their use in the treatment of tissue damage induced by lipid peroxidation ORION-YHTYMÀ„ OY (FI) 1991-09-04 EP disclosed
US-4963590-A ENZYME INHIBITOR FOR TREATING PARKINSON'S DISEASE ALONG WITH DOPA;POTENTIATION ORION-YHTYMA OY (FI) 1990-10-16 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 (1 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-20140163045-A1 Small Molecule Xanthine Oxidase Inhibitors and Methods of Use XDH, PNPO, AOX1 TTR 2911/4885GPR35 3249/4885MEN1 4818/4885

“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.