SCHEMBL24452000

SCHEMBL24452000

CC(C)c1ccc(N2CCN(CC3CCOC3)CC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
MAPT P10636 2/20 0.45
KDM4E B2RXH2 1/20 0.45
GAA P10253 1/20 0.45
ALOX15 P16050 1/20 0.45
ALOX12 P18054 1/20 0.45
MAPK1 P28482 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
KDM2B Q8NHM5 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42
LMNA P02545 2/20 0.41
ACVR1 Q04771 1/20 0.40
HTR4 Q13639 1/20 0.40
ENPP2 Q13822 1/20 0.40
ACACB O00763 1/20 0.39
TLR9 Q9NR96 1/20 0.39
TLR8 Q9NR97 1/20 0.39
TLR7 Q9NYK1 1/20 0.39

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
SCHEMBL20884957 0.90 ACVR1 (0.39) ALDH1A1MAPTKDM4EGAAALOX15
SCHEMBL17660591 0.89 ALDH1A1 (0.46) ALDH1A1MAPTKDM4EGAAALOX15
SCHEMBL22542103 0.85 EBP (0.48) MAPTGAAL3MBTL1ACVR1EBP
SCHEMBL23260176 0.84 KDM2B (0.54) ALDH1A1MAPTKDM4EGAAALOX15
SCHEMBL20883734 0.83 ACVR1 (0.43) ALDH1A1MAPTMAPK1SMN1; SMN2TDP1
SCHEMBL23260162 0.82 KDM2B (0.49) ALDH1A1MAPTKDM4EGAASMN1; SMN2
SCHEMBL20884873 0.82 TLR9 (0.52) KDM2BHRH3HTR4ENPP2TLR9
SCHEMBL23306910 0.80 KDM2B (0.50) ALDH1A1MAPTKDM4EGAAALOX15
SCHEMBL23105600 0.78 KDM2B (0.49) ALDH1A1MAPTKDM4EGAAALOX15
SCHEMBL21450679 0.78 KDM2B (0.49) ALDH1A1MAPTKDM4EGAAALOX15

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-20220168313-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF SAGARD HOLDINGS MANAGER LP, AS ADMINISTRATIVE AGENT (CA) 2022-06-02 US disclosed
US-20220162229-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF SAGARD HOLDINGS MANAGER LP, AS ADMINISTRATIVE AGENT (CA) 2022-05-26 US 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 (2 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-20220162229-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF WEE1, WEE2, NME1 ALDH1A1 2869/4885MAPT 4445/4885KDM4E 795/4885
US-20220168313-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF WEE1, WEE2, VHL ALDH1A1 2242/4885MAPT 3958/4885KDM4E 1729/4885

“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.