SCHEMBL25780903

SCHEMBL25780903

CC(C)(C)Cc1ccc2c(c1)NCC2

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.43
GFER P55789 1/20 0.40
ESR1 P03372 1/20 0.37
DRD2 P14416 1/20 0.37
DRD4 P21917 1/20 0.37
ACHE P22303 1/20 0.34
S1PR1 P21453 1/20 0.34
PPARG P37231 2/20 0.33
PPARD Q03181 2/20 0.33
PPARA Q07869 2/20 0.33
MLNR O43193 1/20 0.33
PARP1 P09874 1/20 0.33
PARP10 Q53GL7 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC10 Q969S8 1/20 0.33
HDAC11 Q96DB2 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
SCHEMBL20672035 0.90 PPARG (0.42) SMN1; SMN2GFERESR1ACHEPPARG
SCHEMBL21249903 0.86 DRD2 (0.49) ESR1DRD2DRD4ACHEPARP11
SCHEMBL19675118 0.83 SMN1; SMN2 (0.41) SMN1; SMN2GFERDRD2DRD4ACHE
SCHEMBL4190017 0.81 SMN1; SMN2 (0.51) SMN1; SMN2GFERDRD2DRD4S1PR1
SCHEMBL91440 0.80 SMN1; SMN2 (0.50) SMN1; SMN2GFERDRD2DRD4S1PR1
Hydrochloric Acid SCHEMBL1426114 0.79 SMN1; SMN2 (0.49) SMN1; SMN2GFERDRD2DRD4S1PR1
SCHEMBL8648722 0.78 MLNR (0.46) SMN1; SMN2GFERDRD2MLNR
SCHEMBL21335655 0.78 PARP10 (0.58) PARP1PARP10PARP11
SCHEMBL13814905 0.77 MAPT (0.50) ESR1DRD2DRD4ACHEPPARG
SCHEMBL27610259 0.77 SMN1; SMN2 (0.44) SMN1; SMN2ESR1DRD2ACHES1PR1

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-20230295142-A1 NOVEL COMPOUNDS AS HISTONE DEACETYLASE 6 INHIBITOR, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2023-09-21 US disclosed
US-20230212170-A1 INHIBITORS OF KRAS G12C PROTEIN AND USES THEREOF ANTENGENE DISCOVERY LIMITED (CN) 2023-07-06 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-20230295142-A1 NOVEL COMPOUNDS AS HISTONE DEACETYLASE 6 INHIBITOR, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME HDAC6, HDAC1, HDAC2 SMN1; SMN2 3197/4885GFER 4787/4885ESR1 4730/4885
US-20230212170-A1 INHIBITORS OF KRAS G12C PROTEIN AND USES THEREOF KRAS, NRAS, HRAS SMN1; SMN2 2930/4885GFER 3664/4885ESR1 2875/4885

“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.