SCHEMBL3825680

SCHEMBL3825680

Cc1nc(CN2C(=O)c3ccccc3C2=O)oc1CO[Si](C)(C)C(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.44
KDM4E B2RXH2 1/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 3/20 0.41
RECQL P46063 1/20 0.41
HPGD P15428 2/20 0.40
RXFP1 Q9HBX9 1/20 0.38
NPSR1 Q6W5P4 1/20 0.36
PKM P14618 2/20 0.35
POLB P06746 1/20 0.35
TSHR P16473 1/20 0.35
ALDH1A1 P00352 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
PABPC1 P11940 1/20 0.34
ALOX15 P16050 1/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
PDE10A Q9Y233 1/20 0.34

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
SCHEMBL7981998 0.76 RECQL (0.45) KDM4EMAPTRECQLHPGDRXFP1
SCHEMBL3822169 0.74 ALDH1A1 (0.40) HSD17B10KDM4EMAPTHPGDNPSR1
SCHEMBL3825682 0.74 HSD17B10 (0.43) HSD17B10KDM4ELMNAMAPTRECQL
SCHEMBL5208485 0.73 KMT2A (0.48) KDM4EMAPTRECQLHPGDNPSR1
SCHEMBL21744527 0.72 MAPT (0.44) KDM4EMAPTRECQLNPSR1PKM
SCHEMBL3823302 0.72 KIF11 (0.32)
SCHEMBL16881234 0.72 MAPT (0.41) KDM4EMAPTRECQLHPGDRXFP1
SCHEMBL3825675 0.72 HSD17B10 (0.44) HSD17B10KDM4ELMNAMAPTRECQL
SCHEMBL22275274 0.71
SCHEMBL3822543 0.71

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 3 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
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.