SCHEMBL31300870

SCHEMBL31300870

Cn1cnc(-c2ccc3c(ccn3COCC[Si](C)(C)C)c2)n1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ DGAT1 O75907 5/20 0.38
▸ SCN9A Q15858 1/20 0.34
▸ AOC3 Q16853 2/20 0.33
▸ S1PR1 P21453 1/20 0.33
▸ GRM2 Q14416 1/20 0.33
▸ NPC1 O15118 1/20 0.32
▸ GLO1 Q04760 2/20 0.32
▸ DRD2 P14416 1/20 0.32
▸ HTR2A P28223 1/20 0.32
▸ BPTF Q12830 2/20 0.31
▸ EGFR P00533 1/20 0.31
▸ IGF1R P08069 1/20 0.31
▸ SRC P12931 1/20 0.31
▸ FLT4 P35916 1/20 0.31
▸ KDR P35968 1/20 0.31
▸ FLT3 P36888 1/20 0.31
▸ EPHB4 P54760 1/20 0.31
▸ TEK Q02763 1/20 0.31
▸ PPARA Q07869 1/20 0.31

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
SCHEMBL23800737 1.00 DGAT1 (0.38) DGAT1SCN9AAOC3S1PR1GRM2
SCHEMBL20605032 0.81 GLO1 (0.47) SCN9AAOC3S1PR1GRM2GLO1
SCHEMBL20604875 0.79 DRD2 (0.36) DGAT1AOC3NPC1DRD2HTR2A
SCHEMBL20605031 0.78 MET (0.41) SCN9AAOC3S1PR1GLO1DRD2
SCHEMBL20605112 0.78 DUT (0.37) DGAT1SCN9AAOC3S1PR1GRM2
SCHEMBL29925168 0.76 HTR2C (0.48) DGAT1NPC1HTR2AEGFRIGF1R
SCHEMBL28840671 0.76 HTR2C (0.48) DGAT1NPC1HTR2AEGFRIGF1R
SCHEMBL1467091 0.75 HTR2A (0.49) DGAT1NPC1HTR2A
SCHEMBL4493915 0.75 HTR2C (0.49) DGAT1SCN9ANPC1HTR2A
SCHEMBL28841058 0.75 HTR2C (0.51) HTR2A

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-12144816-B2 Substituted indole Mcl-1 inhibitors VANDERBILT UNIVERSITY (US) 2024-11-19 — — 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-12144816-B2 Substituted indole Mcl-1 inhibitors MCL1, BCL2L1, BCL9 DGAT1 1834/4885SCN9A 3614/4885AOC3 4221/4885

“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.

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