SCHEMBL699498

SCHEMBL699498

O=[N+]([O-])c1ccc(C2OCCO2)cc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.44
ALDH1A1 P00352 3/20 0.43
ACHE P22303 1/20 0.43
HSD17B10 Q99714 1/20 0.43
MAPT P10636 3/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
LMNA P02545 3/20 0.42
RECQL P46063 1/20 0.42
SLC18A3 Q16572 1/20 0.42
KCNA4 P22459 1/20 0.41
KCNA1 Q09470 1/20 0.41
KCNAB1 Q14722 1/20 0.41
CES1 P23141 1/20 0.41
POLB P06746 2/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL6259653 0.92 MAPT (0.44) EPHX1ALDH1A1ACHEHSD17B10MAPT
SCHEMBL9778713 0.82 CA12 (0.56) ALDH1A1MAPTKMT2AMEN1LMNA
SCHEMBL9636565 0.82 SMN1; SMN2 (0.53) EPHX1ALDH1A1ACHEHSD17B10MAPT
SCHEMBL28373802 0.80 SLC18A3 (0.45) EPHX1ALDH1A1ACHEHSD17B10MAPT
SCHEMBL28368682 0.80 SLC18A3 (0.45) EPHX1ALDH1A1ACHEHSD17B10MAPT
SCHEMBL28368681 0.80 SLC18A3 (0.45) EPHX1ALDH1A1ACHEHSD17B10MAPT
SCHEMBL4169410 0.78 ALDH1A1 (0.58) ALDH1A1ACHEMAPTHTTKMT2A
SCHEMBL1583098 0.78 TSHR (0.46) EPHX1ALDH1A1ACHEHSD17B10MAPT
SCHEMBL1582559 0.78 TSHR (0.46) EPHX1ALDH1A1ACHEHSD17B10MAPT
SCHEMBL8976434 0.78 ALDH1A1 (0.45) EPHX1ALDH1A1ACHEHSD17B10MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118515623-B Substituted benzisoxazole compound and application thereof in preparation of antitumor drugs 河北中医药大学 2025-04-25 CN claimed
CN-118459418-B Hydroxamic acid HDAC inhibitor and application thereof in preparation of antitumor drugs 河北中医药大学 2025-04-08 CN claimed
CN-118515623-A Substituted benzisoxazole compound and application thereof in preparation of antitumor drugs 河北中医药大学 2024-08-20 CN claimed
CN-118459418-A Hydroxamic acid HDAC inhibitor and application thereof in preparation of antitumor drugs 河北中医药大学 2024-08-09 CN claimed
US-20250154115-A1 ARYLBENZOISOXAZOLE COMPOUNDS AS IP6K AND IPMK INHIBITORS AND METHODS OF USE THEREOF THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL 2025-05-15 US disclosed
CN-118515623-B Substituted benzisoxazole compound and application thereof in preparation of antitumor drugs 河北中医药大学 2025-04-25 CN disclosed
CN-118459418-B Hydroxamic acid HDAC inhibitor and application thereof in preparation of antitumor drugs 河北中医药大学 2025-04-08 CN disclosed
CN-114746434-B Antibiotic compounds 莱顿大学 2025-02-21 CN disclosed
CN-119137106-A Arylbenzisoxazole compounds as IP6K and IPMK inhibitors and methods of use thereof 北卡罗来纳查佩尔山大学 2024-12-13 CN disclosed
EP-4472954-A1 ARYLBENZOISOXAZOLE COMPOUNDS AS IP6K AND IPMK INHIBITORS AND METHODS OF USE THEREOF The University of North Carolina at Chapel Hill (US) 2024-12-11 EP disclosed
EP-4034547-B9 ANTIBIOTIC COMPOUNDS UNIV LEIDEN (NL) 2024-09-04 EP disclosed
CN-118515623-A Substituted benzisoxazole compound and application thereof in preparation of antitumor drugs 河北中医药大学 2024-08-20 CN disclosed
WO-2002024687-A1 FARNESYL TRANSFERASE INHIBITING 6-HETEROCYCLYLMETHYL QUINOLINONE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2002-03-28 WO disclosed
EP-0630261-A4 NEW CYCLODEXTRINS AND NEW FORMULATED DRUGS. AUSTRALIAN COMMERCIAL RESEARCH (AU) 1996-11-06 EP disclosed
EP-0630261-A1 NEW CYCLODEXTRINS AND NEW FORMULATED DRUGS AUSTRALIAN COMMERCIAL RESEARCH & DEVELOPMENT LIMITED (AU) 1994-12-28 EP disclosed
WO-1993017711-A1 NEW CYCLODEXTRINS AND NEW FORMULATED DRUGS AUSTRALIAN COMMERCIAL RESEARCH & DEVELOPMENT LIMITED (AU) 1993-09-16 WO disclosed
US-4977272-A Radiation absorbers THE STANDARD OIL COMPANY (US) 1990-12-11 US disclosed
US-4868061-A ADDITION POLYMERS, ULTRAVIOLET RADIATION STABILIZERS THE STANDARD OIL COMPANY (US) 1989-09-19 US disclosed
US-4740611-A N,N'-disubstituted ureas THE STANDARD OIL COMPANY (US) 1988-04-26 US disclosed
US-4705864-A Aryl oxime derivatives of hydantoins THE STANDARD OIL COMPANY (US) 1987-11-10 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-20250154115-A1 ARYLBENZOISOXAZOLE COMPOUNDS AS IP6K AND IPMK INHIBITORS AND METHODS OF USE THEREOF PFKL, IP6K2, IP6K1 EPHX1 1569/4885ALDH1A1 851/4885ACHE 4658/4885

“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.