SCHEMBL25775845

SCHEMBL25775845

BrCc1cc2cc(CNC34CC5CC(CC(C5)C3)C4)ccc2o1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.43
HDAC6 Q9UBN7 2/20 0.42
SMN1; SMN2 Q16637 3/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
ACHE P22303 2/20 0.37
F12 P00748 1/20 0.36
ALDH1A1 P00352 2/20 0.36
TRPV6 Q9H1D0 1/20 0.35
HRH3 Q9Y5N1 2/20 0.34
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL25775848 0.88 HDAC6 (0.48) CNR2HDAC6SMN1; SMN2MEN1KMT2A
SCHEMBL23977585 0.87 HRH3 (0.33) CNR2HDAC6KMT2AF12ALDH1A1
SCHEMBL15009312 0.79 CA12 (0.54) CNR2HDAC6SMN1; SMN2MEN1KMT2A
SCHEMBL15009659 0.75 LOXL2 (0.45) CNR2HDAC6SMN1; SMN2MEN1KMT2A
SCHEMBL23977808 0.74 CNR2 (0.42) CNR2HDAC6SMN1; SMN2MEN1KMT2A
SCHEMBL25775849 0.74 HDAC6 (0.45) HDAC6
SCHEMBL3362801 0.69 HDAC6 (0.63) CNR2HDAC6SMN1; SMN2MEN1KMT2A
SCHEMBL15013179 0.69 CYP2A6 (0.50) CNR2HDAC6SMN1; SMN2MEN1KMT2A
SCHEMBL15008756 0.69 MEN1 (0.54) CNR2HDAC6SMN1; SMN2MEN1KMT2A
SCHEMBL15009596 0.68 CNR2 (0.60) CNR2HDAC6SMN1; SMN2MEN1KMT2A

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-20230203022-A1 HETEROCYCLE AND GLUTARIMIDE SKELETON-BASED COMPOUND AND APPLICATIONS THEREOF SHANGHAITECH UNIVERSITY (CN) 2023-06-29 US disclosed
US-20230203022-A1 HETEROCYCLE AND GLUTARIMIDE SKELETON-BASED COMPOUND AND APPLICATIONS THEREOF SHANGHAITECH UNIVERSITY (CN) 2023-06-29 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 (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-20230203022-A1 HETEROCYCLE AND GLUTARIMIDE SKELETON-BASED COMPOUND AND APPLICATIONS THEREOF TNF, GCDH, LITAF CNR2 2547/4885HDAC6 452/4885SMN1; SMN2 2290/4885

“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.