SCHEMBL960965

SCHEMBL960965

O=[N+]([O-])c1ccc(CO)s1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.53
KDM4E B2RXH2 4/20 0.53
HTT P42858 4/20 0.53
ALDH1A1 P00352 4/20 0.53
L3MBTL1 Q9Y468 3/20 0.53
TDP1 Q9NUW8 2/20 0.53
KMT2A Q03164 9/20 0.50
MEN1 O00255 7/20 0.50
POLB P06746 3/20 0.46
GAA P10253 2/20 0.46
NR1D1 P20393 6/20 0.44
MAPK1 P28482 1/20 0.41
NPC1 O15118 1/20 0.41
MITF O75030 1/20 0.41
LMNA P02545 1/20 0.41
RECQL P46063 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PSMD14 O00487 1/20 0.41
NR1H3 Q13133 1/20 0.40

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
SCHEMBL8423313 0.96 MAPT (0.50) MAPTKDM4EHTTALDH1A1L3MBTL1
Phenol SCHEMBL27464528 0.88 NR1D1 (0.47) MAPTKDM4EHTTALDH1A1L3MBTL1
SCHEMBL5182378 0.84 KMT2A (0.51) MAPTKDM4EHTTALDH1A1L3MBTL1
SCHEMBL7048967 0.79 KMT2A (0.54) MAPTKDM4EHTTALDH1A1L3MBTL1
SCHEMBL10160727 0.79 KMT2A (0.54) MAPTKDM4EHTTALDH1A1L3MBTL1
SCHEMBL4880954 0.79 MAPT (0.53) MAPTKDM4EHTTALDH1A1L3MBTL1
SCHEMBL7753003 0.79 MAPT (0.53) MAPTKDM4EHTTALDH1A1L3MBTL1
SCHEMBL27834139 0.79 MAPT (0.49) MAPTKDM4EHTTALDH1A1L3MBTL1
SCHEMBL9449945 0.77 MEN1 (0.49) MAPTKDM4EHTTALDH1A1L3MBTL1
SCHEMBL6261093 0.77 MAPT (0.52) MAPTKDM4EHTTALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230365559-A1 NOVEL AMINOPYRIDINES AND THEIR USE IN TREATING CANCER AUCKLAND UNISERVICES LIMITED (NZ) 2023-11-16 US disclosed
EP-4217357-A1 NOVEL AMINOPYRIDINES AND THEIR USE IN TREATING CANCER Auckland Uniservices Limited (NZ) 2023-08-02 EP disclosed
US-20230167142-A1 METHODS FOR THE MONO-AMIDATION OF PHOSPHATES AND PHOSPHONATES BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2023-06-01 US disclosed
US-20230063457-A1 DNA-PK INHIBITING COMPOUNDS PROVINCIAL HEALTH SERVICES AUTHORITY (CA) 2023-03-02 US disclosed
WO-2022064430-A1 NOVEL AMINOPYRIDINES AND THEIR USE IN TREATING CANCER AUCKLAND UNISERVICES LIMITED (NZ) 2022-03-31 WO disclosed
US-20220089620-A1 INHIBITORS OF THE ENZYME ENOLASE FOR PRECISION ONCOLOGY BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2022-03-24 US disclosed
CN-110437281-B Pyridinium-modified prodrug micromolecules containing different nitro aromatic heterocycles 南开大学 2022-03-15 CN disclosed
WO-2021202886-A1 METHODS FOR THE MONO-AMIDATION OF PHOSPHATES AND PHOSPHONATES BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2021-10-07 WO disclosed
WO-2020154742-A1 INHIBITORS OF THE ENZYME ENOLASE FOR PRECISION ONCOLOGY BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2020-07-30 WO disclosed
CN-111440141-A Preparation method of hydroxymethyl substituted aromatic heterocyclic compound 安徽泽升科技有限公司 2020-07-24 CN disclosed
US-5716944-A USEFUL AS PROPHYLACTIC AND THERAPEUTIC AGENTS OF VARIOUS METABOLIC BONE DISEASES SUCH AS OSTEOPOROSIS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-02-10 US disclosed
CN-1151744-A Phosphonic acid compounds, their prodn. and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1997-06-11 CN disclosed
EP-0769015-A1 PHOSPHONIC ACID COMPOUNDS, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1997-04-23 EP disclosed
EP-0705257-A1 AMINOACID DERIVATIVES AS NO SYNTHASE INHIBITORS THE WELLCOME FOUNDATION LIMITED (GB) 1996-04-10 EP disclosed
EP-0697022-A1 PHOSPHORAMIDATES USEFUL AS ANTITUMOR AGENTS Research Corporation Technologies, Inc (US) 1996-02-21 EP disclosed
WO-1996001267-A1 PHOSPHONIC ACID COMPOUNDS, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-01-18 WO disclosed
US-5472956-A Treating lung, breast, colon, ovaries or melanomas RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1995-12-05 US disclosed
WO-1995000505-A1 AMINOACID DERIVATIVES AS NO SYNTHASE INHIBITORS THE WELLCOME FOUNDATION LIMITED (GB) 1995-01-05 WO disclosed
WO-1994025471-A1 PHOSPHORAMIDATES USEFUL AS ANTITUMOR AGENTS RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1994-11-10 WO disclosed
US-5306727-A Selectively cytotoxic in hypoxic cells RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1994-04-26 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 (4 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-20220089620-A1 INHIBITORS OF THE ENZYME ENOLASE FOR PRECISION ONCOLOGY ENO1, SERPINB1, ENPEP MAPT 1234/4885KDM4E 1752/4885HTT 3487/4885
US-20230063457-A1 DNA-PK INHIBITING COMPOUNDS DCK, POLK, ERCC2 MAPT 3302/4885KDM4E 760/4885HTT 3752/4885
US-20230167142-A1 METHODS FOR THE MONO-AMIDATION OF PHOSPHATES AND PHOSPHONATES PHPT1, PPIP5K2, PNP MAPT 3158/4885KDM4E 3560/4885HTT 2659/4885
US-20230365559-A1 NOVEL AMINOPYRIDINES AND THEIR USE IN TREATING CANCER DCK, DTYMK, TYMP MAPT 4128/4885KDM4E 770/4885HTT 4800/4885

“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.