SCHEMBL29908987

SCHEMBL29908987

COc1ccc(-c2cc(NC3CCN(CC4CCN4C(=O)OC(C)(C)C)CC3)cc(-c3ccc(N4CCN(C)CC4)cc3)n2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
MAPT P10636 2/20 0.40
LMNA P02545 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CCR3 P51677 1/20 0.40
DRD2 P14416 2/20 0.39
DRD3 P35462 2/20 0.39
HTR1A P08908 2/20 0.39
HTR1D P28221 2/20 0.39
HTR1B P28222 2/20 0.39
HTT P42858 2/20 0.39
HTR6 P50406 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
JAK2 O60674 2/20 0.38
TSHR P16473 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
ATM Q13315 1/20 0.37
DYRK1A Q13627 1/20 0.37
JAK3 P52333 1/20 0.37

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
SCHEMBL26967695 0.90 ALDH1A1 (0.41) ALDH1A1MAPTLMNASMN1; SMN2DRD2
SCHEMBL26967647 0.87 ALDH1A1 (0.62) ALDH1A1MAPTLMNASMN1; SMN2HTR1A
SCHEMBL26967659 0.80 DRD2 (0.45) ALDH1A1MAPTDRD2DRD3HTR6
SCHEMBL26967713 0.79 ALDH1A1 (0.48) ALDH1A1MAPTLMNASMN1; SMN2HTR1A
SCHEMBL29908982 0.78 DRD4 (0.42) ALDH1A1MAPTLMNASMN1; SMN2DRD2
SCHEMBL26967687 0.77 HSD17B10 (0.55) DRD2DRD3HTR6JAK2TSHR
SCHEMBL26967721 0.77 DRD4 (0.40) ALDH1A1MAPTLMNASMN1; SMN2DRD2
SCHEMBL26967705 0.75 HTR6 (0.49) ALDH1A1MAPTDRD2DRD3HTR6
SCHEMBL26967719 0.73 KDM4E (0.43) ALDH1A1MAPTLMNASMN1; SMN2DRD2
SCHEMBL26967667 0.71 L3MBTL1 (0.51) ALDH1A1MAPTLMNASMN1; SMN2HTT

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 ALDH1A1 3344/4885MAPT 7/4885LMNA 688/4885

“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.