SCHEMBL29636757

SCHEMBL29636757

COc1ccc(-c2cc(NCCCNCCCN(C)C)c3ccccc3n2)cc1

nearest known ligand 0.70

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ACP1 P24666 16/20 0.66
SLC2A1 P11166 1/20 0.64
POLB P06746 2/20 0.59
RAD52 P43351 2/20 0.59
RXFP1 Q9HBX9 1/20 0.59
KDM4E B2RXH2 1/20 0.58
ALDH1A1 P00352 1/20 0.58

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
SCHEMBL23029598 0.96 ACP1 (0.71) ACP1SLC2A1POLBRAD52RXFP1
SCHEMBL23029674 0.92 ACP1 (0.66) ACP1SLC2A1POLBRAD52RXFP1
SCHEMBL29636816 0.90 ACP1 (0.68) ACP1
SCHEMBL23015148 0.90 ACP1 (0.68) ACP1
SCHEMBL23029600 0.89 SLC2A1 (0.80) ACP1SLC2A1POLBRAD52KDM4E
SCHEMBL29874560 0.89 SLC2A1 (0.65) ACP1SLC2A1POLBRAD52RXFP1
SCHEMBL29875341 0.89 ACP1 (0.67) ACP1SLC2A1
SCHEMBL23015121 0.88 ACP1 (0.68) ACP1
SCHEMBL23015124 0.88 ACP1 (0.68) ACP1
SCHEMBL29636806 0.88 ACP1 (0.68) ACP1

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 2 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 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

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 1840/4885SLC2A1 2706/4885POLB 994/4885

“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.