SCHEMBL12637473

SCHEMBL12637473

CN(C)c1nc2c(-c3ccc4c(c3)C(C)(C)c3ccccc3-4)cccc2s1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 3/20 0.35
▸ RAB9A P51151 3/20 0.35
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ TP53 P04637 2/20 0.35
▸ HPGD P15428 2/20 0.35
▸ NFKB1 P19838 1/20 0.35
▸ NFKB2 Q00653 1/20 0.35
▸ RELA Q04206 1/20 0.35
▸ PDK2 Q15119 5/20 0.33
▸ APP P05067 1/20 0.33
▸ HTR2C P28335 2/20 0.33
▸ KDM4E B2RXH2 4/20 0.32
▸ ALDH1A1 P00352 4/20 0.32
▸ HTT P42858 2/20 0.32
▸ MAPT P10636 2/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ ALOX5 P09917 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ CASP3 P42574 1/20 0.32
▸ SENP8 Q96LD8 1/20 0.32

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
SCHEMBL12637468 0.78 SMN1; SMN2 (0.47) NPC1RAB9ASMN1; SMN2TP53HPGD
SCHEMBL12637474 0.76 SMN1; SMN2 (0.35) NPC1RAB9ASMN1; SMN2TP53HPGD
SCHEMBL12637466 0.76 ENPP1 (0.44) NPC1RAB9ASMN1; SMN2TP53HPGD
SCHEMBL12637464 0.75 ENPP1 (0.42) NPC1RAB9ASMN1; SMN2TP53HPGD
SCHEMBL12637451 0.75 NAMPT (0.39) PDK2ALDH1A1
SCHEMBL12637443 0.74 PDK2 (0.33) PDK2HTR2CMLNRNR1I2CHRM2
SCHEMBL25444705 0.74 PDK2 (0.41) PDK2
SCHEMBL14515088 0.74 PDK2 (0.41) PDK2
SCHEMBL30186865 0.74 ALOX5 (0.57) NPC1RAB9ASMN1; SMN2TP53HPGD
SCHEMBL16110376 0.74 ALOX5 (0.57) NPC1RAB9ASMN1; SMN2TP53HPGD

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-7939669-B2 Metallic compound and organic electroluminescence device comprising the same SAMSUNG ELECTRONICS CO., LTD. (KR) 2011-05-10 — — US disclosed
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
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 2314/4885RAB9A 1046/4885SMN1; SMN2 1032/4885

“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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