SCHEMBL23015129

SCHEMBL23015129

NCCCNc1cc(C2=CCCCC2)nc2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.51
ACP1 P24666 4/20 0.46
ACHE P22303 5/20 0.45
SMARCA2 P51531 1/20 0.45

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
SCHEMBL29636738 1.00 SLC2A1 (0.51) SLC2A1ACP1ACHESMARCA2
SCHEMBL23015271 0.82 SLC2A1 (0.49) SLC2A1ACP1
SCHEMBL29636722 0.82 SLC2A1 (0.49) SLC2A1ACP1
SCHEMBL23015098 0.74 ELANE (0.42) ACHE
SCHEMBL29636665 0.74 ELANE (0.42) ACHE
SCHEMBL6753691 0.74 SLC2A1 (0.62) SLC2A1ACP1
SCHEMBL23015082 0.73 ACP1 (0.68) SLC2A1ACP1
SCHEMBL29636675 0.73 ACP1 (0.68) SLC2A1ACP1
SCHEMBL29219443 0.72 ELANE (0.49) ACHE
SCHEMBL23015356 0.72 SLC2A1 (0.56) SLC2A1ACP1SMARCA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 claimed
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
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 SLC2A1 2706/4885ACP1 1840/4885ACHE 2466/4885

“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.