SCHEMBL4027686

SCHEMBL4027686

c1ccc(-c2ccc(N3CCCCC3)cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHKA P35790 3/20 0.57
ALDH1A1 P00352 7/20 0.55
TP53 P04637 4/20 0.55
HSD17B10 Q99714 4/20 0.55
SMN1; SMN2 Q16637 4/20 0.55
MAPT P10636 4/20 0.55
NPC1 O15118 3/20 0.55
RAB9A P51151 3/20 0.55
HPGD P15428 3/20 0.55
LMNA P02545 3/20 0.55
ALOX15 P16050 2/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
TSHR P16473 2/20 0.55
STAT1 P42224 1/20 0.55
USP2 O75604 3/20 0.54
KDM4E B2RXH2 2/20 0.54
MEN1 O00255 2/20 0.54
POLB P06746 2/20 0.54
KMT2A Q03164 2/20 0.54
GAA P10253 1/20 0.54

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
Fluoride SCHEMBL27569609 0.98 CHKA (0.56) CHKAALDH1A1TP53HSD17B10SMN1; SMN2
SCHEMBL6561470 0.98 CHKA (0.59) CHKAALDH1A1TP53HSD17B10SMN1; SMN2
SCHEMBL31403228 0.93 ALDH1A1 (0.56) CHKAALDH1A1TP53HSD17B10SMN1; SMN2
Fluoride SCHEMBL27569600 0.91 CHKA (0.53) CHKAALDH1A1TP53HSD17B10SMN1; SMN2
SCHEMBL31013493 0.91 ALDH1A1 (0.62) CHKAALDH1A1TP53HSD17B10SMN1; SMN2
SCHEMBL17857889 0.90 HTR1A (0.53) CHKAALDH1A1TP53HSD17B10SMN1; SMN2
SCHEMBL11548897 0.88 ALDH1A1 (0.58) CHKAALDH1A1TP53HSD17B10SMN1; SMN2
Fluoride SCHEMBL27569822 0.86 MEN1 (0.56) CHKAALDH1A1TP53HSD17B10SMN1; SMN2
SCHEMBL93630 0.85 L3MBTL1 (0.59) CHKAALDH1A1TP53HSD17B10SMN1; SMN2
SCHEMBL8542780 0.85 L3MBTL1 (0.59) CHKAALDH1A1TP53HSD17B10SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101274932-B 2-methyl-5- azomycin-1-(3-chloro-2-hydroxypropyl) chloro-substitutive derivate, preparation thereof and application thereof SICHUAN BAILI PHARMACEUTICAL CO LTD 2012-10-10 CN claimed
CN-101274932-A 2-methyl-5- azomycin-1-(3-chloro-2-hydroxypropyl) chloro-substitutive derivate, preparation thereof and application thereof SICHUAN BAILI PHARMACEUTICAL C (CN) 2008-10-01 CN claimed
CN-118598798-A Preparation method for directly synthesizing arylamine compound based on aromatic hydrocarbon and fatty amine 沈阳药科大学 2024-09-06 CN disclosed
US-20230088214-A1 GLYCOLATE OXIDASE INHIBITORS FOR THE TREATMENT OF DISEASE BIOMARIN PHARMACEUTICAL INC. (US) 2023-03-23 US disclosed
US-20230089374-A1 GLYCOLATE OXIDASE INHIBITORS FOR THE TREATMENT OF DISEASE BIOMARIN PHARMACEUTICAL INC. (US) 2023-03-23 US disclosed
US-20230079913-A1 GLYCOLATE OXIDASE INHIBITORS FOR THE TREATMENT OF DISEASE BIOMARIN PHARMACEUTICAL INC. (US) 2023-03-16 US disclosed
CN-112778125-B Aryl phenol compound and synthesis method and application thereof 华东师范大学 2023-02-17 CN disclosed
CN-112341376-B Preparation method of cycloolefine amine sulfone derivative 温州医科大学 2022-12-06 CN disclosed
US-11384055-B2 Glycolate oxidase inhibitors for the treatment of disease BIOMARIN PHARMACEUTICAL INC. (US) 2022-07-12 US disclosed
CN-112778125-A Aryl phenol compound and synthesis method and application thereof 华东师范大学 2021-05-11 CN disclosed
CN-112341376-A Preparation method of cycloolefine amine sulfone derivative 温州医科大学 2021-02-09 CN disclosed
US-20020007060-A1 Reverse hydroxamate inhibitors of matrix metalloproteinases DAVIDSEN STEVEN K (US) 2002-01-17 US disclosed
US-6294573-B1 FOR THERAPY RHEUMATOID ARTHRITIS, OSTEOARTHRITIS, OSTEOPENIAS SUCH AS OSTEOPOROSIS, PERIODONTITIS, GINGIVITIS, CORNEAL, EPIDERMAL OR GASTRIC ULCERATION, AND TUMOR GROWTH AND METASTASIS OR INVASION ABBOTT LABORATORIES 2001-09-25 US disclosed
US-6235786-B1 RHEUMATIC DISORDERS; BONE DISORDERS; ORAL DISEASES; ANTIULCER AGENTS; ANTITUMOR AGENTS ABBOTT LABORATORIES 2001-05-22 US disclosed
EP-1001930-A2 N-HYDROXYFORMAMIDE DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES Abbott Laboratories (US) 2000-05-24 EP disclosed
WO-1999006361-A2 N-HYDROXYFORMAMIDE DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES ABBOTT LABORATORIES (US) 1999-02-11 WO disclosed
US-5817877-A Metal-catalyzed amination of organic sulfonates to organic amines YALE UNIVERSITY (US) 1998-10-06 US disclosed
US-5489599-A FUNGICIDES SHELL RESEARCH LIMITED (GB) 1996-02-06 US disclosed
WO-1992012130-A1 PIPERIDINE DERIVATIVES SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) 1992-07-23 WO disclosed
EP-0494717-A1 Piperidine derivatives SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1992-07-15 EP 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-20230079913-A1 GLYCOLATE OXIDASE INHIBITORS FOR THE TREATMENT OF DISEASE XDH, PNPO, AGXT CHKA 2600/4885ALDH1A1 481/4885TP53 2420/4885
US-20230088214-A1 GLYCOLATE OXIDASE INHIBITORS FOR THE TREATMENT OF DISEASE XDH, PNPO, AGXT CHKA 2692/4885ALDH1A1 552/4885TP53 2319/4885
US-11384055-B2 Glycolate oxidase inhibitors for the treatment of disease XDH, PNPO, AGXT CHKA 2600/4885ALDH1A1 481/4885TP53 2420/4885
US-20230089374-A1 GLYCOLATE OXIDASE INHIBITORS FOR THE TREATMENT OF DISEASE XDH, PNPO, AGXT CHKA 2600/4885ALDH1A1 481/4885TP53 2420/4885
US-20020007060-A1 Reverse hydroxamate inhibitors of matrix metalloproteinases MMP1, MMP9, MMP3 CHKA 3705/4885ALDH1A1 404/4885TP53 3782/4885

“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.