SCHEMBL13409643

SCHEMBL13409643

C=C(OCC)c1nccc2ccc([Si](C)(C)C)cc12

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.32
CYP2A6 P11509 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
APAF1 O14727 1/20 0.30
NSD2 O96028 1/20 0.30
CASP3 P42574 1/20 0.30
SENP8 Q96LD8 1/20 0.30
SENP7 Q9BQF6 1/20 0.30
SENP6 Q9GZR1 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
SCHEMBL13392356 0.79 GABRA1 (0.44) L3MBTL1KDM4EMAPK1KMT2AIRAK4
SCHEMBL8561476 0.79 CYP2A6 (0.51) L3MBTL1KDM4EMAPK1KMT2ACYP2A6
SCHEMBL13409642 0.70 CYP2A6 (0.33) CYP2A6
SCHEMBL20509772 0.68 ALDH1A1 (0.35) KDM4EKMT2A
SCHEMBL20772126 0.68 GABRP (0.34) L3MBTL1KDM4EKMT2ASMN1; SMN2
SCHEMBL18691153 0.66 LMNA (0.44) MAPK1CYP2A6
SCHEMBL18523245 0.66 PLG (0.35) CYP2A6
SCHEMBL31507506 0.66 BRD4 (0.32)
SCHEMBL22480913 0.65 BRD4 (0.44) L3MBTL1KDM4EMAPK1KMT2ASMN1; SMN2
SCHEMBL31522898 0.64 BRD4 (0.32) KDM4ESMN1; SMN2

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-20100099676-A1 SULFONYLUREA DERIVATIVE CAPABLE OF SELECTIVELY INHIBITING MMP-13 SHIONOGI & CO., LTD. (JP) 2010-04-22 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-20100099676-A1 SULFONYLUREA DERIVATIVE CAPABLE OF SELECTIVELY INHIBITING MMP-13 MMP13, MMP3, MMP26 L3MBTL1 1343/4885KDM4E 1419/4885MAPK1 711/4885

“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.