SCHEMBL12637476

SCHEMBL12637476

CN(C)c1nc2c(-c3cccc4ccccc34)cccc2s1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 2/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ NFKB1 P19838 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ NFKB2 Q00653 1/20 0.42
▸ RELA Q04206 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ HTR2C P28335 3/20 0.40
▸ CYP1A2 P05177 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ MAPK11 Q15759 1/20 0.36
▸ MAPK14 Q16539 1/20 0.36
▸ KDM4E B2RXH2 3/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ LMNA P02545 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ HTT P42858 2/20 0.36
▸ NISCH Q9Y2I1 1/20 0.36

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
SCHEMBL12637467 0.83 SMN1; SMN2 (0.43) HPGDNPC1TP53NFKB1RAB9A
SCHEMBL12637468 0.81 SMN1; SMN2 (0.47) HPGDNPC1TP53NFKB1RAB9A
SCHEMBL11275034 0.81 XIAP (0.45) HPGDNPC1TP53NFKB1RAB9A
SCHEMBL12637481 0.79 SMN1; SMN2 (0.45) HPGDNPC1TP53NFKB1RAB9A
SCHEMBL12637482 0.78 NPC1 (0.39) HPGDNPC1TP53NFKB1RAB9A
SCHEMBL12637462 0.78 CYP1A2 (0.44) HPGDNPC1TP53NFKB1RAB9A
SCHEMBL12637475 0.77 SMN1; SMN2 (0.43) HPGDNPC1TP53NFKB1RAB9A
SCHEMBL12637464 0.76 ENPP1 (0.42) HPGDNPC1TP53NFKB1RAB9A
SCHEMBL21089385 0.75 ALDH1A1 (0.56) HPGDNPC1RAB9ASMN1; SMN2HTR2C
SCHEMBL12637465 0.74 SMN1; SMN2 (0.37) HPGDNPC1TP53NFKB1RAB9A

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 HPGD 3538/4885NPC1 2314/4885TP53 3658/4885

“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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