SCHEMBL6733668

SCHEMBL6733668

CC(C)(C)[Si](C)(C)Oc1ccc(NCc2cccnc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.59
LTA4H P09960 1/20 0.56
CYP3A4 P08684 10/20 0.52
CYP2C9 P11712 10/20 0.52
CYP2C19 P33261 10/20 0.52
MAPT P10636 2/20 0.49
MEN1 O00255 1/20 0.49
PABPC1 P11940 1/20 0.49
KMT2A Q03164 1/20 0.49
KDM4E B2RXH2 1/20 0.48
GAA P10253 1/20 0.48
CYP1A2 P05177 6/20 0.47
CYP2D6 P10635 5/20 0.47
RAB9A P51151 1/20 0.46

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
SCHEMBL1157315 0.81 L3MBTL1 (0.54) ALDH1A1LTA4HCYP3A4CYP2C9CYP2C19
SCHEMBL2908596 0.80 ALDH1A1 (0.69) ALDH1A1LTA4HCYP3A4CYP2C9CYP2C19
SCHEMBL16467862 0.79 KDM4E (0.43) ALDH1A1CYP3A4CYP2C9CYP2C19MAPT
SCHEMBL23873637 0.78 ALDH1A1 (0.72) ALDH1A1LTA4HCYP3A4CYP2C9CYP2C19
SCHEMBL13762188 0.77 ALDH1A1 (0.69) ALDH1A1LTA4HCYP3A4CYP2C19MAPT
SCHEMBL6833672 0.76 LTA4H (0.73) ALDH1A1LTA4HCYP3A4CYP2C9CYP2C19
SCHEMBL6730610 0.75 LTA4H (0.72) ALDH1A1LTA4HCYP3A4CYP2C9CYP2C19
SCHEMBL171745 0.75 ALDH1A1 (1.00) ALDH1A1LTA4HMAPTMEN1PABPC1
SCHEMBL10556321 0.75 LTA4H (0.57) ALDH1A1LTA4HCYP3A4CYP2C9CYP2C19
SCHEMBL5605047 0.75 LTA4H (0.82) ALDH1A1LTA4HCYP2C19MAPTMEN1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6800651-B2 Potentiators of glutamate receptors ELI LILLY AND COMPANY 2004-10-05 US disclosed
US-20040006114-A1 Potentiators of glutamate receptors ELI LILLY AND COMPANY 2004-01-08 US disclosed
EP-1255735-A2 PYRIDINE DERIVATIVES AS POTENTIATORS OF GLUTAMATE RECEPTORS ELI LILLY AND COMPANY (US) 2002-11-13 EP disclosed
WO-2001056990-A2 PYRIDINE DERIVATES AS POTENTIATORS OF GLUTAMATE RECEPTORS ELI LILLY AND COMPANY (US) 2001-08-09 WO 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-20040006114-A1 Potentiators of glutamate receptors GRM1, GRIN1, GRM2 ALDH1A1 1187/4885LTA4H 1721/4885CYP3A4 2786/4885

“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.