SCHEMBL23957952

SCHEMBL23957952

CC(C)(C)c1cn(C(C)(C)C)c(=O)c2ncccc12

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.37
HSP90AA1 P07900 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
COMT P21964 4/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
CYP2C19 P33261 1/20 0.36
BRD4 O60885 2/20 0.36
KDM4E B2RXH2 1/20 0.35
SLC6A2 P23975 1/20 0.35
HTT P42858 1/20 0.35
FTO Q9C0B1 2/20 0.35
FEN1 P39748 1/20 0.34
KAT2B Q92831 1/20 0.34
UQCRB P14927 1/20 0.34
PARP1 P09874 2/20 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
SCHEMBL23957954 0.88 NPC1 (0.37) NPC1HSP90AA1L3MBTL1COMTCYP1A2
SCHEMBL19869615 0.83 BRD4 (0.46) NPC1HSP90AA1L3MBTL1COMTBRD4
SCHEMBL18232751 0.78 HTR3A (0.34) NPC1HSP90AA1L3MBTL1CYP1A2CYP3A4
SCHEMBL23957953 0.77 BRD4 (0.37) L3MBTL1BRD4KDM4E
SCHEMBL19869614 0.74 BRD4 (0.50) NPC1HSP90AA1L3MBTL1BRD4FEN1
SCHEMBL14336996 0.71 HSP90AA1 (0.48) NPC1HSP90AA1L3MBTL1COMTCYP3A4
SCHEMBL23957951 0.71 BRD4 (0.35) BRD4FEN1KAT2B
SCHEMBL23957955 0.71 KDM5A (0.34) BRD4FEN1KAT2BPARP1
SCHEMBL21931157 0.70 MAPT (0.44) HSP90AA1L3MBTL1COMTCYP1A2CYP3A4
SCHEMBL14867109 0.70 ACVR1 (0.35) NPC1COMTCYP1A2CYP3A4GAA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210330646-A1 FASCIN BINDING COMPOUNDS FOR SPINOGENESIS SPINOGENIX, INC. 2021-10-28 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-20210330646-A1 FASCIN BINDING COMPOUNDS FOR SPINOGENESIS FSCN1, SMN1; SMN2, DCX NPC1 4121/4885HSP90AA1 2095/4885L3MBTL1 722/4885

“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.