SCHEMBL513249

SCHEMBL513249

CC(NCc1cccnc1)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.56
PKM P14618 1/20 0.55
KMT2A Q03164 1/20 0.55
RECQL P46063 1/20 0.54
TBXAS1 P24557 2/20 0.54
KDM4E B2RXH2 1/20 0.53
HPGD P15428 2/20 0.52
LMNA P02545 1/20 0.52
HTT P42858 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
CYP1A2 P05177 2/20 0.51
CYP2D6 P10635 1/20 0.51
NAPRT Q6XQN6 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
USP2 O75604 1/20 0.50
GPR132 Q9UNW8 1/20 0.50
MAPT P10636 1/20 0.50
KEAP1 Q14145 1/20 0.50

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
SCHEMBL513250 1.00 L3MBTL1 (0.56) L3MBTL1PKMKMT2ARECQLTBXAS1
SCHEMBL8437521 1.00 L3MBTL1 (0.56) L3MBTL1PKMKMT2ARECQLTBXAS1
Hydrochloric Acid SCHEMBL8439653 0.98 TBXAS1 (0.55) L3MBTL1PKMKMT2ARECQLTBXAS1
Hydrochloric Acid SCHEMBL8439652 0.98 TBXAS1 (0.55) L3MBTL1PKMKMT2ARECQLTBXAS1
SCHEMBL8803619 0.86 RECQL (0.60) L3MBTL1PKMKMT2ARECQLHPGD
SCHEMBL6421087 0.85 ALDH1A1 (0.57) L3MBTL1PKMKMT2ARECQLKDM4E
SCHEMBL8843480 0.85 L3MBTL1 (0.53) L3MBTL1PKMKMT2ARECQLTBXAS1
Hydrochloric Acid SCHEMBL8843446 0.84 TBXAS1 (0.52) L3MBTL1PKMKMT2ARECQLTBXAS1
SCHEMBL8843081 0.82 PDCD1 (0.52) L3MBTL1PKMKMT2ARECQLTBXAS1
SCHEMBL17623604 0.82 TBXAS1 (0.55) L3MBTL1TBXAS1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007054348-A1 NOVEL MEDICAMENTS Ernst-Moritz-Arndt-Universität Greifswald (DE) 2007-05-18 WO claimed
US-5916906-A TREATMENT OF NEURODEGENERATIVE DISORDERS, VIRAL INFECTIONS, AUTOIMMUNE DISEASES SHASKAN EDWARD G (US) 1999-06-29 US claimed
EP-0814812-A1 COMPOSITIONS COMPRISING NICOTYNYLALANINE AND AN INHIBITOR OF GLYCINE CONJUGATION OR VITAMIN B6 Shaskan, Edward G. (US) 1998-01-07 EP claimed
WO-1996028167-A1 COMPOSITIONS COMPRISING NICOTYNYLALANINE AND AN INHIBITOR OF GLYCINE CONJUGATION OR VITAMIN B6 SHASKAN EDWARD G (US) 1996-09-19 WO claimed
EP-0532545-A1 NICOTINYLALANINE AS A THERAPEUTIC AGENT ACTING ON THE CENTRAL NERVOUS SYSTEM FIDIA S.p.A. (IT) 1993-03-24 EP claimed
WO-1991017750-A1 NICOTINYLALANINE AS A THERAPEUTIC AGENT ACTING ON THE CENTRAL NERVOUS SYSTEM FIDIA S.P.A. (IT) 1991-11-28 WO claimed
CN-118139636-A Delivery of promoted concentrated antibody formulations using hyaluronidase 武田药品工业株式会社 2024-06-04 CN disclosed
EP-3070475-B1 IN VITRO DIAGNOSTIC, PROGNOSIS OF CONTRAST INDUCED NEPHROPATHY KELLNER KARL HEINZ (DE) 2020-02-19 EP disclosed
WO-2016193499-A1 IMMUNOMODULATORY ANTIBODY OR IMMUNOTHERAPEUTIC, AGENT WHICH INCREASES AND/OR MIMICKS KYNURENINE, AND OPTIONAL COMBINATION THEREOF IMMUSMOL SAS (FR) 2016-12-08 WO disclosed
EP-3070475-A2 IN VITRO DIAGNOSTIC, PROGNOSIS OF CONTRAST INDUCED NEPHROPATHY Kellner, Karl-Heinz (DE) 2016-09-21 EP disclosed
US-9290518-B2 Water soluble metal-organic frameworks (MOFs) COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2016-03-22 US disclosed
US-20120029015-A1 Novel medical use of kynurenic acid, its precursors and derivatives MARCINIAK ANDRZEJ (PL) 2012-02-02 US disclosed
WO-2010110689-A1 A NOVEL MEDICAL USE OF KYNURENIC ACID, ITS PRECURSORS AND DERIVATIVES MARCINIAK ANDRZEJ (PL) 2010-09-30 WO disclosed
WO-1996028167-A1 COMPOSITIONS COMPRISING NICOTYNYLALANINE AND AN INHIBITOR OF GLYCINE CONJUGATION OR VITAMIN B6 SHASKAN EDWARD G (US) 1996-09-19 WO disclosed
US-5495044-A Inhibitors of kynureninase UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 1996-02-27 US disclosed
WO-1995011878-A1 INHIBITORS OF KYNURENINASE UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 1995-05-04 WO disclosed
EP-0532545-A1 NICOTINYLALANINE AS A THERAPEUTIC AGENT ACTING ON THE CENTRAL NERVOUS SYSTEM FIDIA S.p.A. (IT) 1993-03-24 EP disclosed
EP-0532545-A1 NICOTINYLALANINE AS A THERAPEUTIC AGENT ACTING ON THE CENTRAL NERVOUS SYSTEM FIDIA S.p.A. (IT) 1993-03-24 EP disclosed
WO-1991017750-A1 NICOTINYLALANINE AS A THERAPEUTIC AGENT ACTING ON THE CENTRAL NERVOUS SYSTEM FIDIA S.P.A. (IT) 1991-11-28 WO disclosed
WO-1991017750-A1 NICOTINYLALANINE AS A THERAPEUTIC AGENT ACTING ON THE CENTRAL NERVOUS SYSTEM FIDIA S.P.A. (IT) 1991-11-28 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-20120029015-A1 Novel medical use of kynurenic acid, its precursors and derivatives FFAR3, FFAR2, HCAR2 L3MBTL1 4010/4885PKM 2452/4885KMT2A 1276/4885

“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.