SCHEMBL3825675

SCHEMBL3825675

Cc1nc(CN2C(=O)c3ccccc3C2=O)oc1C(O[SiH](C)C)C(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.44
KDM4E B2RXH2 1/20 0.44
LMNA P02545 1/20 0.44
HPGD P15428 2/20 0.38
MAPT P10636 3/20 0.38
RECQL P46063 1/20 0.37
RXFP1 Q9HBX9 1/20 0.36
NPSR1 Q6W5P4 1/20 0.34
PDE10A Q9Y233 1/20 0.34
CASP3 P42574 2/20 0.34
ADRA1D P25100 1/20 0.34
ADRA1A P35348 1/20 0.34
TSHR P16473 3/20 0.33
POLB P06746 1/20 0.33
PKM P14618 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
MAPK1 P28482 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
SCHEMBL3822166 0.76 NPC1 (0.37) HSD17B10HPGDMAPTNPSR1CASP3
SCHEMBL3822540 0.73
SCHEMBL3824888 0.73
SCHEMBL3826543 0.73
SCHEMBL7982003 0.73 GAA (0.41) KDM4ERECQLRXFP1CASP3TSHR
SCHEMBL3825680 0.72 HSD17B10 (0.44) HSD17B10KDM4ELMNAHPGDMAPT
SCHEMBL3822192 0.71
SCHEMBL3825682 0.69 HSD17B10 (0.43) HSD17B10KDM4ELMNAHPGDMAPT
SCHEMBL16881232 0.69 CASP3 (0.37) KDM4ERECQLRXFP1CASP3TSHR
SCHEMBL3825858 0.69

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
EP-2096111-A1 PYRAZOLES AND USE THEREOF AS DRUGS Japan Tobacco Inc. (JP) 2009-09-02 EP disclosed
US-20090036450-A1 PYRAZOLE COMPOUNDS AND USE THEREOF JAPAN TOBACCO, INC. (JP) 2009-02-05 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-20090036450-A1 PYRAZOLE COMPOUNDS AND USE THEREOF PYGL, GYS2, G6PC1 HSD17B10 327/4885KDM4E 1955/4885LMNA 2209/4885

“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.