SCHEMBL12591069

SCHEMBL12591069

Cc1cc2c(ccc3sc(N(C)C)nc32)s1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.41
▸ NPC1 O15118 2/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ PIM1 P11309 12/20 0.36
▸ PIM2 Q9P1W9 12/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ LMNA P02545 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ NFKB1 P19838 1/20 0.33
▸ NFKB2 Q00653 1/20 0.33
▸ RELA Q04206 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ CYP1A2 P05177 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ PIM3 Q86V86 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
SCHEMBL12591058 0.79 NPC1 (0.53) HTTNPC1RAB9APIM1PIM2
SCHEMBL12591036 0.75 HTT (0.38) HTTNPC1RAB9AALDH1A1LMNA
SCHEMBL11275034 0.75 XIAP (0.45) HTTNPC1RAB9AALDH1A1LMNA
SCHEMBL12591059 0.72 ALDH1A1 (0.35) PIM1PIM2ALDH1A1LMNA
SCHEMBL4416724 0.71 ALDH1A1 (0.52) NPC1RAB9AALDH1A1
SCHEMBL10963720 0.69 PIM1 (0.36) HTTPIM1PIM2ALDH1A1HPGD
Bromide SCHEMBL11839601 0.69 ALDH1A1 (0.56) HTTNPC1RAB9AALDH1A1LMNA
SCHEMBL10968821 0.69 PDE3B (0.40) HTTNPC1RAB9A
SCHEMBL2757063 0.67 ALDH1A1 (0.48) NPC1RAB9AALDH1A1HPGDSMN1; SMN2
SCHEMBL12278769 0.67 ALDH1A1 (0.48) NPC1RAB9AALDH1A1HPGDSMN1; SMN2

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-7968715-B2 Phosphor dimeric metallic compound having a new co-ligand structure and an organic electroluminescence device having improved luminous efficiency and color purity; long lifespan; highly efficient phosphor host material SAMSUNG ELECTRONICS CO., LTD. (KR) 2011-06-28 — — US disclosed
US-7968715-B2 Phosphor dimeric metallic compound having a new co-ligand structure and an organic electroluminescence device having improved luminous efficiency and color purity; long lifespan; highly efficient phosphor host material SAMSUNG ELECTRONICS CO., LTD. (KR) 2011-06-28 — — US disclosed
US-20080200678-A1 Metallic Compound and Organic Electroluminescence Device Comprising the Same SAMSUNG ELECTRONICS CO., LTD., (KR) 2008-08-21 — — US disclosed
US-20080200678-A1 Metallic Compound and Organic Electroluminescence Device Comprising the Same SAMSUNG ELECTRONICS CO., LTD., (KR) 2008-08-21 — — 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-20080200678-A1 Metallic Compound and Organic Electroluminescence Device Comprising the Same RPS10, SCO2, NFE2L2 HTT 3490/4885NPC1 4022/4885RAB9A 339/4885

“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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