SCHEMBL4492355

SCHEMBL4492355

CCN1C(=O)C(C)(C)c2cc3nc(-c4nn(COCC[Si](C)(C)C)c5cc(/C=C/c6cccc([N+](=O)[O-])c6)ccc45)n(COCC[Si](C)(C)C)c3cc21

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.37
BRD4 O60885 1/20 0.35
ALDH1A1 P00352 2/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
MEN1 O00255 1/20 0.32
MAPK1 P28482 1/20 0.32
KMT2A Q03164 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
NFE2L2 Q16236 2/20 0.31
MMP2 P08253 1/20 0.31
NPC1 O15118 1/20 0.31
GRIN2D O15399 1/20 0.30
GRIN2C Q14957 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
SCHEMBL4492358 1.00 SMN1; SMN2 (0.37) SMN1; SMN2BRD4ALDH1A1LMNAMAPT
SCHEMBL4494044 0.83 BRD4 (0.43) BRD4NPC1
SCHEMBL4504227 0.83 BRD4 (0.37) BRD4
SCHEMBL4501413 0.81 BRD4 (0.36) BRD4
SCHEMBL4493984 0.81 BRD4 (0.39) BRD4
SCHEMBL4504140 0.80 BRD4 (0.36) BRD4
SCHEMBL4506965 0.79 BRD4 (0.37) BRD4NPC1
Benzene SCHEMBL4493992 0.77 BRD4 (0.39) BRD4
SCHEMBL4497885 0.69 AURKA (0.47) SMN1; SMN2ALDH1A1LMNAMAPTMEN1
SCHEMBL4497883 0.69 AURKA (0.47) SMN1; SMN2ALDH1A1LMNAMAPTMEN1

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-20090291968-A1 SUBSTITUTED INDAZOLE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS GEORGES GUY 2009-11-26 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-20090291968-A1 SUBSTITUTED INDAZOLE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS CYP3A43, CYP3A5, CYP3A7 SMN1; SMN2 4281/4885BRD4 1830/4885ALDH1A1 88/4885

“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.