SCHEMBL1609323

SCHEMBL1609323

O=Cc1cc([N+](=O)[O-])c(O)c(O)c1Br

nearest known ligand 0.65

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 13/20 0.65
XDH P47989 1/20 0.50
GPR35 Q9HC97 1/20 0.44

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
SCHEMBL4599867 0.83 ERN1 (0.47) ERN1XDH
SCHEMBL7368834 0.79 ERN1 (0.56) ERN1XDHGPR35
SCHEMBL928630 0.79 ERN1 (1.00) ERN1XDH
SCHEMBL2925564 0.78 ERN1 (0.59) ERN1XDHGPR35
SCHEMBL2918547 0.78 ERN1 (0.59) ERN1XDH
SCHEMBL9328126 0.74 GPR35 (0.57) ERN1XDHGPR35
SCHEMBL16838210 0.73 ERN1 (0.56) ERN1XDH
SCHEMBL29441809 0.73 ERN1 (0.67) ERN1GPR35
SCHEMBL831073 0.73 ERN1 (0.67) ERN1GPR35
SCHEMBL15783651 0.73 XDH (0.71) ERN1XDH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-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-9580379-B2 Xanthine oxidase inhibitors and methods of use BAYLOR COLLEGE OF MEDICINE (US) 2017-02-28 US disclosed
US-20160089342-A1 METHOD OF INHIBITING XANTHINE OXIDASE ACTIVITY IN A CELL BAYLOR COLLEGE OF MEDICINE 2016-03-31 US disclosed
CN-1064673-C New method for preparation of 3,4-dihydroxy-5-nitrobenzaldehyde ORION YHTYMAE OY (FI) 2001-04-18 CN disclosed
EP-0782559-B1 NEW METHOD FOR THE PREPARATION OF 3,4-DIHYDROXY-5-NITROBENZALDEHYDE ORIONYHTYMAE OY (FI) 1999-01-13 EP disclosed
US-5710343-A Method for the preparation of 3,4-dihydroxy-5-nitrobenzaldehyde ORION-YHTYMA OY (FI) 1998-01-20 US disclosed
CN-1164852-A New preparation method of 3, 4-dihydroxy-5-nitrobenzaldehyde ORION YHTYMAE OY (FI) 1997-11-12 CN disclosed
EP-0782559-A1 NEW METHOD FOR THE PREPARATION OF 3,4-DIHYDROXY-5-NITROBENZALDEHYDE ORIONYHTYMÄ OY (FI) 1997-07-09 EP disclosed
EP-0589948-B1 METHOD FOR THE PREPARATION OF 3,4-DIHYDROXY-5-NITROBENZALDEHYDE ORION YHTYMAE OY (FI) 1996-09-04 EP disclosed
WO-1996009274-A1 NEW METHOD FOR THE PREPARATION OF 3,4-DIHYDROXY-5-NITROBENZALDEHYDE Orion-Yhtymä Oy (FI) 1996-03-28 WO disclosed
US-5382699-A Method for the preparation of 3,4-dihydroxy-5-nitrobenzaldehyde ORION-YHTYMA OY (FI) 1995-01-17 US disclosed
EP-0589948-A1 METHOD FOR THE PREPARATION OF 3,4-DIHYDROXY-5-NITROBENZALDEHYDE. ORION YHTYMAE OY (FI) 1994-04-06 EP disclosed
WO-1993000323-A1 METHOD FOR THE PREPARATION OF 3,4-DIHYDROXY-5-NITROBENZALDEHYDE Orion-Yhtymä Oy (FI) 1993-01-07 WO 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-20160089342-A1 METHOD OF INHIBITING XANTHINE OXIDASE ACTIVITY IN A CELL XDH, PNPO, AOX1 ERN1 1485/4885XDH 1/4885GPR35 3830/4885

“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.