SCHEMBL443043

SCHEMBL443043

COC(=O)c1ccc(OCCN)cc1

nearest known ligand 0.79

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.79
RAB9A P51151 3/20 0.70
TDP1 Q9NUW8 2/20 0.59
L3MBTL1 Q9Y468 2/20 0.59
CA1 P00915 1/20 0.58
CA2 P00918 1/20 0.58
LOXL2 Q9Y4K0 1/20 0.58
NPC1 O15118 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
KDM4E B2RXH2 2/20 0.54
STS P08842 1/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
LMNA P02545 1/20 0.51
GAA P10253 1/20 0.51
ESR1 P03372 1/20 0.50
CYP19A1 P11511 1/20 0.50
ESR2 Q92731 1/20 0.50

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
Hydrochloric Acid SCHEMBL442778 0.98 MAPT (0.77) MAPTRAB9ATDP1L3MBTL1CA1
SCHEMBL8683825 0.91 MAPT (0.77) MAPTRAB9ATDP1L3MBTL1CA1
SCHEMBL13252834 0.90 MAPT (0.75) MAPTRAB9ATDP1L3MBTL1CA1
Hydrochloric Acid SCHEMBL6982145 0.90 MAPT (0.74) MAPTRAB9ATDP1L3MBTL1CA1
SCHEMBL1951546 0.89 MAPT (1.00) MAPTRAB9ATDP1L3MBTL1CA1
SCHEMBL4204731 0.88 MAPT (0.72) MAPTRAB9ATDP1L3MBTL1CA1
Hydrochloric Acid SCHEMBL444912 0.88 MAPT (0.72) MAPTRAB9ATDP1L3MBTL1CA1
SCHEMBL8708489 0.88 MAPT (0.72) MAPTRAB9ATDP1L3MBTL1CA1
SCHEMBL6552089 0.88 MAPT (0.72) MAPTRAB9ATDP1L3MBTL1CA1
SCHEMBL20692508 0.88 MAPT (0.66) MAPTRAB9ATDP1L3MBTL1CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113527237-A Method for preparing abemostat, intermediate and preparation method of intermediate 上海工程技术大学 2021-10-22 CN claimed
JP-63112543-A None JP disclosed
JP-63112542-A None JP disclosed
CN-118420529-A Novel estrogen receptor down-regulator compound, preparation method and application 南京中医药大学 2024-08-02 CN disclosed
CN-109734690-B Novel abexinostat salts, related crystalline forms, process for their preparation and pharmaceutical compositions containing them 制药公司 2023-08-11 CN disclosed
CN-113527237-A Method for preparing abemostat, intermediate and preparation method of intermediate 上海工程技术大学 2021-10-22 CN disclosed
CN-113527237-A Method for preparing abemostat, intermediate and preparation method of intermediate 上海工程技术大学 2021-10-22 CN disclosed
WO-2021062482-A1 ANTIVIRAL COMPOUNDS AND THEIR USE Salut Products Pty Ltd (AU) 2021-04-08 WO disclosed
US-10898461-B2 Salts of 3-[(dimethylamino)methyl]-N-{2-[4-(hydroxycarbamoyl) phenoxy]ethyli-1-benzofuran-2-carboxamide, related crystalline forms, method for preparing the same and pharmaceutical compositions containing the same PHARMACYCLICS LLC (US) 2021-01-26 US disclosed
EP-3189040-B1 NOVEL SALTS OF 3-[(DIMETHYLAMINO)METHYL]-N-{2-[4-(HYDROXYCARBAMOYL) PHENOXY]ETHYL}-1-BENZOFURAN-2-CARBOXAMIDE, RELATED CRYSTALLINE FORMS, METHOD FOR PREPARING THE SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME PHARMACYCLICS LLC (US) 2020-07-29 EP disclosed
WO-1996035671-A1 β-ADRENERGIC AGONISTS PFIZER INC. (US) 1996-11-14 WO disclosed
WO-1996035670-A1 β-ADRENERGIC AGONISTS PFIZER INC. (US) 1996-11-14 WO disclosed
WO-1995032710-A1 COMPOUNDS FOR INHIBITING OSTEOCLAST-MEDIATED BONE RESORPTION MERCK & CO., INC. (US) 1995-12-07 WO disclosed
EP-0147211-B1 4H-3,1-BENZOXAZIN-4-ONES AND RELATED COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND PROCESSES FOR THEIR PREPARATION SYNTEX (U.S.A.) INC. (US) 1990-09-12 EP disclosed
US-4831055-A ANTILIPEMIC AND ANTICHOLESTEROL AGENTS NIPPON SHINYAKU CO., LTD. (JP) 1989-05-16 US disclosed
JP-S63112542-A PRODUCTION OF ALKOXYCARBONYL-SUBSTITUTED PHENOXYETHYLAMINES NIPPON SHOKUBAI KAGAKU KOGYO CO LTD 1988-05-17 JP disclosed
JP-S63112543-A PRODUCTION OF ALKOXYCARBONYL-SUBSTITUTED PHENOXYETHYLAMINES NIPPON SHOKUBAI KAGAKU KOGYO CO LTD 1988-05-17 JP disclosed
US-4657893-A ANTIINFLAMMATORY AGENTS SYNTEX (U.S.A.) INC. (US) 1987-04-14 US disclosed
EP-0147211-A2 4H-3,1-benzoxazin-4-ones and related compounds, pharmaceutical compositions containing them, and processes for their preparation SYNTEX (U.S.A.) INC. (US) 1985-07-03 EP disclosed
US-3940407-A β-Adrenergic blocking agents in the 1,2,3-thiadiazole series SYNTEX (U.S.A.) INC. (US) 1976-02-24 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-10898461-B2 Salts of 3-[(dimethylamino)methyl]-N-{2-[4-(hydroxycarbamoyl) phenoxy]ethyli-1-benzofuran-2-carboxamide, related crystalline forms, method for preparing the same and pharmaceutical compositions containing the same CA13, CA1, CPS1 MAPT 1355/4885RAB9A 3793/4885TDP1 2580/4885

“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.