SCHEMBL23029697

SCHEMBL23029697

NCCCNc1cc(-c2ccc(N3CCNCC3)cc2)nc2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ACP1 P24666 13/20 0.55
SYK P43405 2/20 0.55
SLC2A1 P11166 1/20 0.55
SMARCA2 P51531 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
SCHEMBL23029676 0.91 ACP1 (0.51) ACP1SYKSLC2A1
SCHEMBL29636807 0.87 ACP1 (0.45) ACP1SYKSLC2A1SMARCA2
SCHEMBL23029700 0.87 SLC2A1 (0.60) ACP1SLC2A1
Hydrochloric Acid SCHEMBL29636760 0.86 SLC2A1 (0.59) ACP1SLC2A1
SCHEMBL29636742 0.86 ACP1 (0.50) ACP1SLC2A1SMARCA2
SCHEMBL23015126 0.86 ACP1 (0.50) ACP1SLC2A1SMARCA2
Trifluoroacetic Acid SCHEMBL29636818 0.84 ACP1 (0.47) ACP1SLC2A1
SCHEMBL23029767 0.84 SYK (0.46) ACP1SYK
SCHEMBL29636709 0.84 SYK (0.46) ACP1SYK
SCHEMBL23029698 0.82 SLC2A1 (0.48) ACP1SLC2A1

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 7 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
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 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
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

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 ACP1 1840/4885SYK 4777/4885SLC2A1 2706/4885

“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.