SCHEMBL3605706

SCHEMBL3605706

CC(C)(C)[Si](C)(C)OC[C@@H]1CCCN1C1Cc2ccc(N)cc2NC1=O

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.32
CHRNB2 P17787 1/20 0.32
CHRNA4 P43681 1/20 0.32
CHEK1 O14757 1/20 0.32
MAP2K1 Q02750 1/20 0.32
ALOX15 P16050 2/20 0.32
HSD17B10 Q99714 2/20 0.32
KDM4E B2RXH2 3/20 0.31
ALDH1A1 P00352 3/20 0.31
MAPT P10636 3/20 0.31
KMT2A Q03164 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
FKBP1A P62942 1/20 0.31
TOP2A P11388 3/20 0.31
CA9 Q16790 1/20 0.31
DUT P33316 1/20 0.31
CRBN Q96SW2 1/20 0.31
GAA P10253 4/20 0.31
MEN1 O00255 1/20 0.30
HPGD P15428 1/20 0.30

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
SCHEMBL3599096 0.85 CASP3 (0.39) PARP1CHRNB2CHRNA4CHEK1MAP2K1
SCHEMBL3596516 0.84 ALOX15 (0.33) PARP1CHEK1MAP2K1ALOX15HSD17B10
SCHEMBL13545484 0.83 FKBP1A (0.35) FKBP1ATOP2ACA9DUTCRBN
SCHEMBL3601734 0.80 CA9 (0.37) PARP1CHRNB2CHRNA4CHEK1MAP2K1
SCHEMBL3597258 0.77 CASP3 (0.41) PARP1CHRNB2CHRNA4CHEK1MAP2K1
SCHEMBL13545483 0.76 CRBN (0.34) CA9CRBN
SCHEMBL3596520 0.76 CRBN (0.34) CA9CRBN
SCHEMBL3606198 0.74 CA9 (0.40) PARP1CHEK1MAP2K1ALOX15HSD17B10
SCHEMBL3599094 0.73 CASP3 (0.39) PARP1CHEK1MAP2K1ALOX15HSD17B10
SCHEMBL3605701 0.73 ALOX15 (0.32) PARP1CHEK1MAP2K1ALOX15HSD17B10

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-20100016285-A1 HETEROCYCLIDENE-N-(ARYL) ACETAMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2010-01-21 US disclosed
EP-2128157-A1 HETEROCYCLIDENE-N-(ARYL)ACETAMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2009-12-02 EP 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-20100016285-A1 HETEROCYCLIDENE-N-(ARYL) ACETAMIDE DERIVATIVE CCNY, CCND3, NSD3 PARP1 1468/4885CHRNB2 989/4885CHRNA4 986/4885

“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.