SCHEMBL19259721

SCHEMBL19259721

CCCCC(CC)COC(=O)CCSc1ccc(OC)c([N+](=O)[O-])c1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.46
CYP3A4 P08684 3/20 0.46
TSHR P16473 2/20 0.46
ATM Q13315 1/20 0.46
ALDH1A1 P00352 12/20 0.44
MAPK1 P28482 2/20 0.44
CA2 P00918 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
LMNA P02545 2/20 0.38
GRK6 P43250 1/20 0.37
HTT P42858 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL19259864 0.88 TDP1 (0.46) TDP1CYP3A4TSHRATMALDH1A1
SCHEMBL31260394 0.87 CYP3A4 (0.45) TDP1CYP3A4TSHRATMALDH1A1
SCHEMBL19259705 0.86 CYP3A4 (0.46) TDP1CYP3A4TSHRATMALDH1A1
SCHEMBL19259846 0.84 CYP3A4 (0.50) TDP1CYP3A4TSHRATMALDH1A1
SCHEMBL19259987 0.84 CYP3A4 (0.50) TDP1CYP3A4TSHRATMALDH1A1
SCHEMBL2890229 0.84 CYP3A4 (0.52) TDP1CYP3A4TSHRATMALDH1A1
SCHEMBL26647441 0.83 CYP3A4 (0.45) TDP1CYP3A4TSHRATMALDH1A1
SCHEMBL31260384 0.81 ALDH1A1 (0.40) TDP1CYP3A4TSHRATMALDH1A1
SCHEMBL31260310 0.81 TDP1 (0.42) TDP1CYP3A4TSHRATMALDH1A1
SCHEMBL1391125 0.79 ALDH1A1 (0.47) TDP1CYP3A4TSHRATMALDH1A1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3416956-B1 METHYLAMINE DERIVATIVES AS LYSYL OXIDASE INHIBITORS FOR THE TREATMENT OF CANCER THE INSTITUTE OF CANCER RES ROYAL CANCER HOSPITAL (GB) 2024-04-10 EP disclosed
US-11608330-B2 Methylamine derivatives as lysysl oxidase inhibitors for the treatment of cancer THE INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (GB) 2023-03-21 US disclosed
US-20220372028-A1 Methylamine Derivatives as Lysysl Oxidase Inhibitors for the Treatment of Cancer THE INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (GB) 2022-11-24 US disclosed
CN-109311839-B Methylamine derivatives as lysyl oxidase inhibitors for the treatment of cancer 癌症研究协会皇家癌症医院 2021-11-02 CN disclosed
US-10995088-B2 Methylamine derivatives as lysysl oxidase inhibitors for the treatment of cancer THE INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (GB) 2021-05-04 US disclosed
US-20210040078-A1 Methylamine Derivatives as Lysysl Oxidase Inhibitors for the Treatment of Cancer THE INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (GB) 2021-02-11 US disclosed
US-10807974-B2 Methylamine derivatives as lysysl oxidase inhibitors for the treatment of cancer THE INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (GB) 2020-10-20 US disclosed
US-20190152966-A1 Methylamine Derivatives as Lysysl Oxidase Inhibitors for the Treatment of Cancer THE INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (GB) 2019-05-23 US disclosed
EP-3416956-A1 METHYLAMINE DERIVATIVES AS LYSYSL OXIDASE INHIBITORS FOR THE TREATMENT OF CANCER The Institute of Cancer Research : The Royal Cancer Hospital (GB) 2018-12-26 EP disclosed
WO-2017141049-A1 METHYLAMINE DERIVATIVES AS LYSYSL OXIDASE INHIBITORS FOR THE TREATMENT OF CANCER THE INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (GB) 2017-08-24 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 (6 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-20190152966-A1 Methylamine Derivatives as Lysysl Oxidase Inhibitors for the Treatment of Cancer LOXL1, LOXL3, LOXL2 TDP1 2098/4885CYP3A4 2190/4885TSHR 2329/4885
US-20210040078-A1 Methylamine Derivatives as Lysysl Oxidase Inhibitors for the Treatment of Cancer LOXL1, LOXL3, LOXL2 TDP1 2098/4885CYP3A4 2190/4885TSHR 2329/4885
US-20220372028-A1 Methylamine Derivatives as Lysysl Oxidase Inhibitors for the Treatment of Cancer LOXL1, LOXL3, LOXL2 TDP1 2098/4885CYP3A4 2190/4885TSHR 2329/4885
US-10995088-B2 Methylamine derivatives as lysysl oxidase inhibitors for the treatment of cancer LOXL1, LOXL3, LOXL2 TDP1 2098/4885CYP3A4 2190/4885TSHR 2329/4885
US-10807974-B2 Methylamine derivatives as lysysl oxidase inhibitors for the treatment of cancer LOXL1, LOXL3, LOXL2 TDP1 2098/4885CYP3A4 2190/4885TSHR 2329/4885
US-11608330-B2 Methylamine derivatives as lysysl oxidase inhibitors for the treatment of cancer LOXL1, LOXL3, LOXL2 TDP1 2098/4885CYP3A4 2190/4885TSHR 2329/4885

“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.