SCHEMBL29317050

SCHEMBL29317050

CC(C)(C)[Si](C)(C)Oc1cccc2cn[nH]c12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 3/20 0.51
HPGD P15428 3/20 0.41
MAPT P10636 3/20 0.41
KDM4E B2RXH2 2/20 0.41
RET P07949 2/20 0.41
HSD17B10 Q99714 2/20 0.41
PLK4 O00444 1/20 0.41
CHEK1 O14757 1/20 0.41
AURKA O14965 1/20 0.41
DAPK3 O43293 1/20 0.41
MAP4K4 O95819 1/20 0.41
CSF1R P07333 1/20 0.41
FGFR1 P11362 1/20 0.41
PDGFRA P16234 1/20 0.41
LTK P29376 1/20 0.41
KDR P35968 1/20 0.41
MAP2K2 P36507 1/20 0.41
FLT3 P36888 1/20 0.41
CSNK1A1 P48729 1/20 0.41
PRKX P51817 1/20 0.41

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
SCHEMBL29130012 0.80 NOS1 (0.41) NOS1HPGDMAPTKDM4ERET
SCHEMBL31190636 0.78 IDO1 (0.50) NOS1HPGDRETCYP1A2CYP3A4
SCHEMBL5483794 0.77 HPGD (0.62) NOS1HPGDMAPTKDM4ERET
SCHEMBL3870264 0.77 BCHE (0.48) HTR2AHTR2C
SCHEMBL17977220 0.74 ALDH1A1 (0.47) HPGDKDM4EHSD17B10TDP1ALDH1A1
SCHEMBL30556213 0.73 CA1 (0.38) MEN1TSHRKMT2ASMN1; SMN2TDP1
SCHEMBL29318944 0.73 CA12 (0.30)
SCHEMBL24210724 0.73 HDAC1 (0.41) NOS1HPGDMAPTKDM4ERET
SCHEMBL29520821 0.72 TRPA1 (0.51) NOS1HPGDMAPTKDM4ERET
SCHEMBL15505902 0.72 NOS1 (0.50) NOS1HPGDMAPTKDM4ERET

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-20240239794-A1 PKC-Theta Modulators EXSCIENTIA AI LIMITED (GB) 2024-07-18 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-20240239794-A1 PKC-Theta Modulators PRKCQ, PRKCH, PRKCZ NOS1 1460/4885HPGD 1461/4885MAPT 1678/4885

“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.