SCHEMBL29636766

SCHEMBL29636766

CN(C)CCCNc1cc(-c2ccc3ncccc3c2)nc2ccccc12

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 3/20 0.61
POLB P06746 2/20 0.59
RAD52 P43351 2/20 0.59
KDM4E B2RXH2 1/20 0.59
ALDH1A1 P00352 1/20 0.59
SYK P43405 2/20 0.57
ACP1 P24666 3/20 0.55
NCF1 P14598 2/20 0.49
NPC1 O15118 1/20 0.49
APOBEC3A P31941 1/20 0.49
RAB9A P51151 1/20 0.49
KMT2A Q03164 1/20 0.49
APOBEC3G Q9HC16 1/20 0.49

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
SCHEMBL23029630 1.00 SLC2A1 (0.61) SLC2A1POLBRAD52KDM4EALDH1A1
Hydrochloric Acid SCHEMBL29636808 0.99 SLC2A1 (0.60) SLC2A1POLBRAD52KDM4EALDH1A1
SCHEMBL16123741 0.88 SLC2A1 (0.68) SLC2A1POLBRAD52KDM4EALDH1A1
SCHEMBL23029631 0.87 SLC2A1 (0.55) SLC2A1POLBRAD52KDM4EALDH1A1
SCHEMBL23029627 0.86 SYK (0.57) SLC2A1SYK
SCHEMBL30261191 0.86 SYK (0.57) SLC2A1SYK
SCHEMBL16123717 0.84 SLC2A1 (0.85) SLC2A1POLBRAD52KDM4EALDH1A1
SCHEMBL6751104 0.81 SLC2A1 (0.61) SLC2A1POLBRAD52KDM4EALDH1A1
SCHEMBL16123691 0.81 SLC2A1 (0.79) SLC2A1POLBRAD52KDM4EALDH1A1
SCHEMBL23029601 0.81 SLC2A1 (0.70) SLC2A1POLBRAD52KDM4EALDH1A1

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 3 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
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 SLC2A1 2706/4885POLB 994/4885RAD52 3471/4885

“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.