SCHEMBL12637489

SCHEMBL12637489

CN(C)c1nc2c(-c3ccc([Si](C)(C)C)o3)cccc2s1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ NFKB1 P19838 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ NFKB2 Q00653 1/20 0.36
▸ RELA Q04206 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ HTR2C P28335 1/20 0.33
▸ HTT P42858 2/20 0.33
▸ POLB P06746 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ ALDH1A1 P00352 2/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ NPSR1 Q6W5P4 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
SCHEMBL12637488 0.83 HPGD (0.40) NPC1TP53HPGDNFKB1RAB9A
SCHEMBL12637491 0.81 NPC1 (0.34) NPC1TP53HPGDNFKB1RAB9A
SCHEMBL12637487 0.79 HTR2C (0.33) NPC1TP53HPGDNFKB1RAB9A
SCHEMBL12637465 0.75 SMN1; SMN2 (0.37) NPC1TP53HPGDNFKB1RAB9A
SCHEMBL12637468 0.74 SMN1; SMN2 (0.47) NPC1TP53HPGDNFKB1RAB9A
SCHEMBL12637467 0.73 SMN1; SMN2 (0.43) NPC1TP53HPGDNFKB1RAB9A
SCHEMBL12637464 0.71 ENPP1 (0.42) NPC1TP53HPGDNFKB1RAB9A
SCHEMBL12637481 0.71 SMN1; SMN2 (0.45) NPC1TP53HPGDNFKB1RAB9A
SCHEMBL12637496 0.71 NAMPT (0.33) ALDH1A1
SCHEMBL12637466 0.69 ENPP1 (0.44) NPC1TP53HPGDNFKB1RAB9A

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-7939669-B2 Metallic compound and organic electroluminescence device comprising the same SAMSUNG ELECTRONICS CO., LTD. (KR) 2011-05-10 — — US disclosed
US-20090306395-A1 METALLIC COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE COMPRISING THE SAME SAMSUNG ELECTRONICS CO., LTD., (KR) 2009-12-10 — — 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-20090306395-A1 METALLIC COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE COMPRISING THE SAME SCO2, RPS4Y1, RER1 NPC1 2314/4885TP53 3658/4885HPGD 3538/4885

“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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