SCHEMBL41893

SCHEMBL41893

OCc1cc(Br)cc(CO)c1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.48
IDO1 P14902 2/20 0.39
TSHR P16473 3/20 0.36
CYP3A4 P08684 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
KDM4E B2RXH2 1/20 0.36
CASP6 P55212 1/20 0.36
GABRA1 P14867 1/20 0.32
GABRB1 P18505 1/20 0.32
GABRA2 P47869 1/20 0.32
GABRB2 P47870 1/20 0.32
ALOX15 P16050 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MAPT P10636 1/20 0.31
RECQL P46063 1/20 0.31
TAAR1 Q96RJ0 1/20 0.31
ENPP2 Q13822 1/20 0.31
XDH P47989 1/20 0.31
AGXT P21549 1/20 0.30

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
SCHEMBL112048 0.94 ACHE (0.48) ACHEIDO1TSHRCYP3A4TDP1
SCHEMBL13973047 0.89 ACHE (0.40) ACHEIDO1TSHRCYP3A4TDP1
SCHEMBL27824736 0.87 IDO1 (0.41) ACHEIDO1KDM4ECASP6TAAR1
SCHEMBL16960040 0.87 ACHE (0.39) ACHEIDO1TSHRKDM4ECASP6
SCHEMBL200104 0.84 ACHE (0.67) ACHEIDO1TSHRCYP3A4TDP1
SCHEMBL16951951 0.83 POLB (0.37) ACHEIDO1CYP3A4KDM4EMAPT
SCHEMBL63159 0.83 ACHE (0.62) ACHETSHRKDM4ECASP6MAPT
SCHEMBL790120 0.82 ACHE (0.39) ACHEIDO1CYP3A4KDM4ECASP6
SCHEMBL671597 0.82 CYP4F2 (0.44) ACHEIDO1KDM4ECASP6MAPT
SCHEMBL2732843 0.82 ACHE (0.39) ACHEIDO1TSHRCYP3A4KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025068371-A1 INHIBITORS OF THE PROPROTEIN CONVERTASE FURIN, METHODS OF PRODUCTION THEREOF AND USE PHILIPPS-UNIVERSITÄT MARBURG (DE) 2025-04-03 WO disclosed
CN-114341103-B Aminoguanhydrazones as retrograde transport stabilizers useful in the treatment of neurological diseases 圣拉斐尔医院有限公司 2023-11-10 CN disclosed
CN-114341103-A Aminoguanidinohydrazones as reverse transporter stabilizers useful for the treatment of neurological disorders 圣拉斐尔医院有限公司 2022-04-12 CN disclosed
EP-3954681-A1 SPIROHEPTANE SALICYLAMIDES AND RELATED COMPOUNDS AS INHIBITORS OF ROCK Bristol-Myers Squibb Company (US) 2022-02-16 EP disclosed
EP-3947344-A1 AMINOGUANIDINE HYDRAZONES AS RETROMER STABILIZERS USEFUL FOR TREATING NEUROLOGICAL DISEASES Ospedale San Raffaele Srl (IT) 2022-02-09 EP disclosed
US-11192918-B2 Multicyclic peptides and methods for their preparation STICHTING VOOR DE TECHNISCHE WETENSCHAPPEN (NL) 2021-12-07 US disclosed
EP-3402790-B1 SPIROHEPTANE SALICYLAMIDES AND RELATED COMPOUNDS AS INHIBITORS OF ROCK BRISTOL MYERS SQUIBB CO (US) 2021-10-06 EP disclosed
US-11008570-B2 3′ end caps for RNAi agents for use in RNA interference NOVARTIS AG (CH) 2021-05-18 US disclosed
EP-3519423-B1 ENDOSOMOLYTIC AGENTS FOR GENE THERAPY UCB Biopharma SRL (BE) 2021-04-07 EP disclosed
CN-105792832-B Organic compounds for the treatment of hepatitis B virus 诺华股份有限公司 2021-03-23 CN disclosed
US-20040220194-A1 2-Alkynyl-and 2-alkenyl-pyrazolo-[4,3-e]-1,2,4-triazolo-[1,5-c]-pyrimidine adenosine A2a receptor antagonists SCHERING CORPORATION 2004-11-04 US disclosed
US-20040220194-A1 2-Alkynyl-and 2-alkenyl-pyrazolo-[4,3-e]-1,2,4-triazolo-[1,5-c]-pyrimidine adenosine A2a receptor antagonists SCHERING CORPORATION 2004-11-04 US disclosed
EP-1463501-A1 CIS-IMIDAZOLINES AS MDM2 INHIBITORS F. Hoffmann-La Roche AG (CH) 2004-10-06 EP disclosed
EP-1460059-A1 PROCESS FOR PRODUCING 5-(3-CYANOPHENYL)-3-FORMYLBENZOIC ACID COMPOUND TEIJIN LIMITED (JP) 2004-09-22 EP disclosed
US-6689922-B1 BIAROMATIC COMPOUNDS WHICH ARE ANALOGUES OF VITAMIN D HAVE A MARKED ACTIVITY IN THE FIELDS OF CELL DIFFERENTIATION AND PROLIFERATION GALDERMA RESEARCH & DEVELOPMENT S.N.C. (FR) 2004-02-10 US disclosed
US-6617346-B1 Inhibit the interaction of MDM2 protein with a p53-like peptide and have antiproliferative activity HOFFMANN-LA ROCHE INC. 2003-09-09 US disclosed
WO-2003051360-A1 CIS-IMIDAZOLINES AS MDM2 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2003-06-26 WO disclosed
CN-1332711-A Vitamin D analogues GALDERMA RES & DEV (FR) 2002-01-23 CN disclosed
EP-1124779-A1 VITAMIN D ANALOGUES Galderma Research & Development, S.N.C. (FR) 2001-08-22 EP disclosed
WO-2000026167-A1 VITAMIN D ANALOGUES GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2000-05-11 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 (3 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-20040220194-A1 2-Alkynyl-and 2-alkenyl-pyrazolo-[4,3-e]-1,2,4-triazolo-[1,5-c]-pyrimidine adenosine A2a receptor antagonists ADORA2A, ADORA3, ADORA1 ACHE 634/4885IDO1 1160/4885TSHR 81/4885
US-11192918-B2 Multicyclic peptides and methods for their preparation VIP, NGLY1, PTMS ACHE 3398/4885IDO1 3705/4885TSHR 3163/4885
US-11008570-B2 3′ end caps for RNAi agents for use in RNA interference RNGTT, NSUN2, NSUN3 ACHE 4797/4885IDO1 4611/4885TSHR 4263/4885

“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.