SCHEMBL1004135

SCHEMBL1004135

CN(C)C(=O)c1cc(Br)cc(Br)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
HTT P42858 1/20 0.45
HPGD P15428 2/20 0.43
LMNA P02545 2/20 0.41
NCEH1 Q6PIU2 2/20 0.38
ERN1 O75460 1/20 0.36
NOTUM Q6P988 1/20 0.35
HSP90AA1 P07900 1/20 0.35
PDK2 Q15119 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PARP1 P09874 1/20 0.34
POLB P06746 1/20 0.34
HCAR2 Q8TDS4 1/20 0.34
RECQL P46063 1/20 0.34
RAB9A P51151 1/20 0.34
MAPT P10636 1/20 0.34
TUBB4A P04350 1/20 0.34
TUBB P07437 1/20 0.34
TUBA3C P0DPH7 1/20 0.34

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
SCHEMBL2261587 0.87 SMN1; SMN2 (0.41) ALDH1A1SMN1; SMN2HTTHPGDLMNA
SCHEMBL12476103 0.86 PARP1 (0.46) ALDH1A1SMN1; SMN2HTTHPGDLMNA
SCHEMBL2260191 0.86 SMN1; SMN2 (0.40) ALDH1A1SMN1; SMN2HTTHPGDLMNA
SCHEMBL16396506 0.82 SMN1; SMN2 (0.38) ALDH1A1SMN1; SMN2HTTHPGDLMNA
SCHEMBL16396395 0.82 NOTUM (0.54) ALDH1A1SMN1; SMN2HTTHPGDLMNA
SCHEMBL12221612 0.82 SMN1; SMN2 (0.52) ALDH1A1SMN1; SMN2HTTHPGDNCEH1
SCHEMBL25159901 0.81 SMN1; SMN2 (0.38) ALDH1A1SMN1; SMN2HTTHPGDNCEH1
SCHEMBL1368532 0.79 PARP1 (0.57) ALDH1A1SMN1; SMN2HPGDLMNAERN1
SCHEMBL4778395 0.79 MLYCD (0.44) ALDH1A1LMNANCEH1NOTUML3MBTL1
SCHEMBL29852161 0.79 PARP1 (0.57) ALDH1A1SMN1; SMN2HPGDLMNAERN1

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 12 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
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
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
US-8778219-B2 Ionic liquids for separation of olefin-paraffin mixtures UT-BATTELLE, LLC (US) 2014-07-15 US disclosed
US-20130338389-A1 IONIC LIQUIDS FOR SEPARATION OF OLEFIN-PARAFFIN MIXTURES UT-BATTELLE, LLC (US) 2013-12-19 US disclosed
US-8535560-B2 Ionic liquids for separation of olefin-paraffin mixtures UT-BATTELLE, LLC (US) 2013-09-17 US disclosed
US-20110015461-A1 Ionic Liquids for Separation of Olefin-Paraffin Mixtures UT-BATTELLE, LLC (US) 2011-01-20 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 (8 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-20130338389-A1 IONIC LIQUIDS FOR SEPARATION OF OLEFIN-PARAFFIN MIXTURES POU2F1, POU2F2, POF1B ALDH1A1 1816/4885SMN1; SMN2 1017/4885HTT 3924/4885
US-20190152966-A1 Methylamine Derivatives as Lysysl Oxidase Inhibitors for the Treatment of Cancer LOXL1, LOXL3, LOXL2 ALDH1A1 2293/4885SMN1; SMN2 3688/4885HTT 4838/4885
US-20210040078-A1 Methylamine Derivatives as Lysysl Oxidase Inhibitors for the Treatment of Cancer LOXL1, LOXL3, LOXL2 ALDH1A1 2293/4885SMN1; SMN2 3688/4885HTT 4838/4885
US-20220372028-A1 Methylamine Derivatives as Lysysl Oxidase Inhibitors for the Treatment of Cancer LOXL1, LOXL3, LOXL2 ALDH1A1 2293/4885SMN1; SMN2 3688/4885HTT 4838/4885
US-10995088-B2 Methylamine derivatives as lysysl oxidase inhibitors for the treatment of cancer LOXL1, LOXL3, LOXL2 ALDH1A1 2293/4885SMN1; SMN2 3688/4885HTT 4838/4885
US-10807974-B2 Methylamine derivatives as lysysl oxidase inhibitors for the treatment of cancer LOXL1, LOXL3, LOXL2 ALDH1A1 2293/4885SMN1; SMN2 3688/4885HTT 4838/4885
US-20110015461-A1 Ionic Liquids for Separation of Olefin-Paraffin Mixtures POU2F1, POU2F2, POF1B ALDH1A1 1816/4885SMN1; SMN2 1017/4885HTT 3924/4885
US-11608330-B2 Methylamine derivatives as lysysl oxidase inhibitors for the treatment of cancer LOXL1, LOXL3, LOXL2 ALDH1A1 2293/4885SMN1; SMN2 3688/4885HTT 4838/4885

“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.