SCHEMBL12637467

SCHEMBL12637467

Cc1ccccc1-c1cccc2sc(N(C)C)nc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ HPGD P15428 2/20 0.43
▸ TP53 P04637 2/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ NFKB1 P19838 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ NFKB2 Q00653 1/20 0.43
▸ RELA Q04206 1/20 0.43
▸ ALDH1A1 P00352 4/20 0.42
▸ GAA P10253 3/20 0.42
▸ POLB P06746 2/20 0.42
▸ MAPT P10636 7/20 0.39
▸ MAPK1 P28482 3/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ MITF O75030 1/20 0.39
▸ THRB P10828 1/20 0.39
▸ LMNA P02545 3/20 0.37
▸ ATM Q13315 1/20 0.37
▸ PAX8 Q06710 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37

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
Bromide SCHEMBL11839601 0.83 ALDH1A1 (0.56) SMN1; SMN2HPGDTP53NPC1NFKB1
SCHEMBL12637476 0.83 HPGD (0.42) SMN1; SMN2HPGDTP53NPC1NFKB1
SCHEMBL12637468 0.83 SMN1; SMN2 (0.47) SMN1; SMN2HPGDTP53NPC1NFKB1
SCHEMBL12637464 0.80 ENPP1 (0.42) SMN1; SMN2HPGDTP53NPC1NFKB1
SCHEMBL12637481 0.80 SMN1; SMN2 (0.45) SMN1; SMN2HPGDTP53NPC1NFKB1
SCHEMBL12637462 0.80 CYP1A2 (0.44) SMN1; SMN2HPGDTP53NPC1NFKB1
SCHEMBL12637466 0.78 ENPP1 (0.44) SMN1; SMN2HPGDTP53NPC1NFKB1
SCHEMBL12637482 0.77 NPC1 (0.39) SMN1; SMN2HPGDTP53NPC1NFKB1
SCHEMBL12637465 0.75 SMN1; SMN2 (0.37) SMN1; SMN2HPGDTP53NPC1NFKB1
SCHEMBL12637488 0.75 HPGD (0.40) SMN1; SMN2HPGDTP53NPC1NFKB1

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 SMN1; SMN2 1032/4885HPGD 3538/4885TP53 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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