SCHEMBL744240

SCHEMBL744240

O=C(O)c1cc(CO)on1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.48
ALDH1A1 P00352 3/20 0.46
PTPN1 P18031 2/20 0.43
HCAR2 Q8TDS4 2/20 0.42
FDPS P14324 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
HDAC6 Q9UBN7 2/20 0.40
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
RECQL P46063 1/20 0.39
HTT P42858 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
HIF1A Q16665 1/20 0.37
POLB P06746 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HDAC3 O15379 2/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36

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
SCHEMBL23132428 0.84 HCAR2 (0.49) NOTUMALDH1A1PTPN1HCAR2FDPS
SCHEMBL1810164 0.83 SMN1; SMN2 (0.44) ALDH1A1PTPN1FDPSHDAC6HPGD
SCHEMBL5987816 0.81 ALDH1A1 (0.44) ALDH1A1PTPN1FDPSHDAC6MAPT
SCHEMBL1805432 0.81 PTPN1 (0.44) ALDH1A1PTPN1HCAR2FDPSHDAC6
SCHEMBL14538015 0.81 ALDH1A1 (0.44) ALDH1A1PTPN1HCAR2FDPSHDAC6
SCHEMBL345666 0.81 NOTUM (0.43) NOTUMALDH1A1HDAC6HPGDSMN1; SMN2
SCHEMBL2131964 0.81 TP53 (0.50) ALDH1A1PTPN1HCAR2FDPSMAPT
SCHEMBL3823349 0.81 NOTUM (0.47) NOTUMALDH1A1PTPN1HCAR2FDPS
SCHEMBL2328124 0.81 NOTUM (0.43) NOTUMALDH1A1HDAC6MAPTHPGD
SCHEMBL6370697 0.81 PTPN1 (0.46) ALDH1A1PTPN1HCAR2FDPSHDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050171346-A1 Hexahydropyridazine-3-carboxylic acid derivatives, pharmaceutical compositions containing same and methods of preparation AVENTIS PHARMA S.A. (FR) 2005-08-04 US claimed
US-12178805-B2 Inhibitors of PDE6Delta for use in the prevention and/or treatment of epilepsy and/or neurodegenerative disorders REMYND N.V. (BE) 2024-12-31 US disclosed
EP-3885340-B1 ANDROGEN RECEPTOR MODULATING COMPOUNDS ORION CORP (FI) 2024-11-27 EP disclosed
US-11939324-B2 Compounds for the treatment of epilepsy, neurodegenerative disorders and other CNS disorders REMYND N.V. (BE) 2024-03-26 US disclosed
EP-3621963-B1 COMPOUNDS FOR THE TREATMENT OF EPILEPSY, NEURODEGENERATIVE DISORDERS AND OTHER CNS DISORDERS REMYND N V (BE) 2024-01-24 EP disclosed
EP-3621963-B1 COMPOUNDS FOR THE TREATMENT OF EPILEPSY, NEURODEGENERATIVE DISORDERS AND OTHER CNS DISORDERS REMYND N V (BE) 2024-01-24 EP disclosed
EP-3388433-B1 PHTHALAZINE DERIVATIVES, AND PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE THEREOF SHANGHAI SIMR BIOTECH CO LTD (CN) 2023-08-30 EP disclosed
EP-3388433-B1 PHTHALAZINE DERIVATIVES, AND PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE THEREOF SHANGHAI SIMR BIOTECH CO LTD (CN) 2023-08-30 EP disclosed
CN-110650955-B Compounds for the treatment of epilepsy, neurodegenerative disorders and other CNS disorders 瑞敏德股份有限公司 2023-07-25 CN disclosed
US-20230099111-A1 COMPOUNDS FOR THE TREATMENT OF EPILEPSY, NEURODEGENERATIVE DISORDERS AND OTHER CNS DISORDERS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2023-03-30 US disclosed
US-7795254-B2 Benzomorpholine derivatives and methods of use AMGEN INC. (US) 2010-09-14 US disclosed
EP-2220078-A2 BENZOMORPHOLINE DERIVATIVES AND METHODS OF USE Amgen, Inc (US) 2010-08-25 EP disclosed
WO-2010089510-A2 DERIVATIVES OF AZASPIRANYL-ALKYLCARBAMATES OF 5-MEMBER HETEROCYCLIC COMPOUNDS, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-08-12 WO disclosed
WO-2010055267-A1 CARBAMATE DERIVATIVES OF ALKYL-HETEROCYCLES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-05-20 WO disclosed
US-20090149454-A1 Benzomorpholine derivatives and methods of use AMGEN INC. (US) 2009-06-11 US disclosed
WO-2009058267-A2 BENZOMORPHOLINE DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2009-05-07 WO disclosed
US-7034022-B2 Hexahydropyridazine-3-carboxylic acid derivatives, pharmaceutical compositions containing same and methods of preparation AVENTIS PHARMA S. A. (FR) 2006-04-25 US disclosed
US-20050171346-A1 Hexahydropyridazine-3-carboxylic acid derivatives, pharmaceutical compositions containing same and methods of preparation AVENTIS PHARMA S.A. (FR) 2005-08-04 US disclosed
US-5464860-A Antiepileptic agents NOVAPHARME (FR) 1995-11-07 US disclosed
US-5258397-A FOR TREATMENT OF EPILEPSY; SIDE EFFECT REDUCTION NOVAPHARME (FR) 1993-11-02 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-20090149454-A1 Benzomorpholine derivatives and methods of use BDKRB2, BDKRB1, OPRK1 NOTUM 1857/4885ALDH1A1 1048/4885PTPN1 2587/4885
US-12178805-B2 Inhibitors of PDE6Delta for use in the prevention and/or treatment of epilepsy and/or neurodegenerative disorders PDE4A, PDE12, PDE2A NOTUM 2205/4885ALDH1A1 1375/4885PTPN1 3263/4885
US-20230099111-A1 COMPOUNDS FOR THE TREATMENT OF EPILEPSY, NEURODEGENERATIVE DISORDERS AND OTHER CNS DISORDERS MAPT, PSEN1, PSEN2 NOTUM 1671/4885ALDH1A1 1030/4885PTPN1 4468/4885
US-20050171346-A1 Hexahydropyridazine-3-carboxylic acid derivatives, pharmaceutical compositions containing same and methods of preparation HEXD, CDK5, CHUK NOTUM 1376/4885ALDH1A1 454/4885PTPN1 1016/4885
US-11939324-B2 Compounds for the treatment of epilepsy, neurodegenerative disorders and other CNS disorders MAPT, PSEN1, PSEN2 NOTUM 1671/4885ALDH1A1 1030/4885PTPN1 4468/4885

“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.