SCHEMBL29908982

SCHEMBL29908982

COc1ccc(-c2cc(NC3CCC(NCCCNC(=O)OC(C)(C)C)CC3)cc(-c3ccc(N4CCN(C)CC4)cc3)n2)cc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 1/20 0.42
HTR1A P08908 2/20 0.41
HTR1D P28221 2/20 0.41
HTR1B P28222 2/20 0.41
DRD2 P14416 7/20 0.40
DRD3 P35462 3/20 0.40
ALDH1A1 P00352 2/20 0.40
POLB P06746 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HTR6 P50406 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL26967719 0.90 KDM4E (0.43) DRD4HTR1AHTR1DHTR1BDRD2
SCHEMBL26967721 0.89 DRD4 (0.40) DRD4HTR1AHTR1DHTR1BDRD2
SCHEMBL26967647 0.82 ALDH1A1 (0.62) HTR1AHTR1DHTR1BALDH1A1LMNA
SCHEMBL29908987 0.78 ALDH1A1 (0.45) HTR1AHTR1DHTR1BDRD2DRD3
SCHEMBL26967713 0.78 ALDH1A1 (0.48) HTR1AHTR1DHTR1BALDH1A1LMNA
SCHEMBL23029670 0.77 KLK7 (0.53)
SCHEMBL29636731 0.77 KLK7 (0.53)
SCHEMBL26967705 0.76 HTR6 (0.49) DRD2DRD3ALDH1A1POLBMAPT
SCHEMBL26967687 0.75 HSD17B10 (0.55) DRD2DRD3HTR6KDM4E
SCHEMBL26967659 0.74 DRD2 (0.45) DRD2DRD3ALDH1A1MAPTHTR6

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-20240148722-A1 SMALL MOLECULES THAT BIND TO TDP-43 FOR THE TREATMENT OF ALS AND RELATED DISORDERS FOX CHASE CHEMICAL DIVERSITY CENTER INC. 2024-05-09 US disclosed
EP-4294811-A2 SMALL MOLECULES THAT BIND TO TDP-43 FOR THE TREATMENT OF ALS AND RELATED DISORDERS Biohaven Therapeutics Ltd. (US) 2023-12-27 EP disclosed
WO-2022178338-A2 SMALL MOLECULES THAT BIND TO TDP-43 FOR THE TREATMENT OF ALS AND RELATED DISORDERS BIOHAVEN THERAPEUTICS LTD. (US) 2022-08-25 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-20240148722-A1 SMALL MOLECULES THAT BIND TO TDP-43 FOR THE TREATMENT OF ALS AND RELATED DISORDERS TARDBP, FUS, HSPE1 DRD4 3982/4885HTR1A 1701/4885HTR1D 2842/4885

“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.