SCHEMBL23015382

SCHEMBL23015382

COc1cc2c(NCCCN(C)C)ccnc2cc1OCCCN1CCCC1

nearest known ligand 0.78

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EHMT2 Q96KQ7 14/20 0.78
EHMT1 Q9H9B1 13/20 0.78
DNMT1 P26358 1/20 0.54
FGFR2 P21802 1/20 0.51
SPIN1 Q9Y657 3/20 0.51
SPIN4 Q56A73 1/20 0.51
SPIN3 Q5JUX0 1/20 0.51
SPIN2B Q9BPZ2 1/20 0.51
HRH3 Q9Y5N1 1/20 0.51
TLR9 Q9NR96 1/20 0.51
TLR7 Q9NYK1 1/20 0.51

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
SCHEMBL29875043 0.96 EHMT2 (0.72) EHMT2EHMT1DNMT1FGFR2SPIN1
SCHEMBL23029680 0.89 EHMT2 (0.80) EHMT2EHMT1DNMT1FGFR2HRH3
SCHEMBL29874818 0.79 EHMT2 (0.66) EHMT2EHMT1FGFR2SPIN1TLR9
SCHEMBL23015146 0.78 EHMT2 (0.75) EHMT2EHMT1DNMT1
SCHEMBL28411617 0.78 EHMT2 (1.00) EHMT2EHMT1FGFR2SPIN1
SCHEMBL8526894 0.78 EHMT2 (0.76) EHMT2EHMT1DNMT1FGFR2SPIN1
SCHEMBL29636829 0.78 EHMT2 (0.76) EHMT2EHMT1DNMT1FGFR2SPIN1
SCHEMBL19610566 0.77 SRC (0.70) EHMT2EHMT1HRH3
SCHEMBL23029678 0.77 EHMT2 (0.71) EHMT2EHMT1DNMT1
SCHEMBL23029683 0.77 EHMT2 (0.71) EHMT2EHMT1DNMT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220388962-A1 MOLECULES THAT BIND TO TDP-43 FOR THE TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS AND RELATED DISORDERS FOX CHASE CHEMICAL DIVERSITY CENTER INC. 2022-12-08 US claimed
CN-114667145-A Molecules that bind to TDP-43 for the treatment of amyotrophic lateral sclerosis and related disorders 拜尔哈文制药股份有限公司 2022-06-24 CN claimed
WO-2024054807-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS AND TDP-43 MODULATORS BIOHAVEN THERAPEUTICS LTD. (VG) 2024-03-14 WO disclosed
US-20220388962-A1 MOLECULES THAT BIND TO TDP-43 FOR THE TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS AND RELATED DISORDERS FOX CHASE CHEMICAL DIVERSITY CENTER INC. 2022-12-08 US disclosed
US-20220388962-A1 MOLECULES THAT BIND TO TDP-43 FOR THE TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS AND RELATED DISORDERS FOX CHASE CHEMICAL DIVERSITY CENTER INC. 2022-12-08 US disclosed
EP-4017492-A1 MOLECULES THAT BIND TO TDP-43 FOR THE TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS AND RELATED DISORDERS Biohaven Therapeutics Ltd. (US) 2022-06-29 EP disclosed
CN-114667145-A Molecules that bind to TDP-43 for the treatment of amyotrophic lateral sclerosis and related disorders 拜尔哈文制药股份有限公司 2022-06-24 CN disclosed
WO-2021035101-A1 MOLECULES THAT BIND TO TDP-43 FOR THE TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS AND RELATED DISORDERS BIOHAVEN THERAPEUTICS LTD. (US) 2021-02-25 WO disclosed
WO-2021035101-A1 MOLECULES THAT BIND TO TDP-43 FOR THE TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS AND RELATED DISORDERS BIOHAVEN THERAPEUTICS LTD. (US) 2021-02-25 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 (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-20220388962-A1 MOLECULES THAT BIND TO TDP-43 FOR THE TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS AND RELATED DISORDERS TARDBP, TDP1, TDP2 EHMT2 2562/4885EHMT1 2194/4885DNMT1 2932/4885

“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.