SCHEMBL4179741

SCHEMBL4179741

CSc1ccccc1-c1c2ccccc2c(-c2ccccc2SC)c2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 8/20 0.44
▸ LMNA P02545 3/20 0.44
▸ RXFP1 Q9HBX9 3/20 0.44
▸ IDO1 P14902 1/20 0.44
▸ ALDH1A1 P00352 8/20 0.43
▸ RAB9A P51151 6/20 0.43
▸ HPGD P15428 4/20 0.43
▸ SMN1; SMN2 Q16637 4/20 0.43
▸ MAPT P10636 3/20 0.43
▸ NISCH Q9Y2I1 1/20 0.43
▸ NFKB1 P19838 1/20 0.43
▸ NFKB2 Q00653 1/20 0.43
▸ RELA Q04206 1/20 0.43
▸ NPSR1 Q6W5P4 3/20 0.41
▸ PPARG P37231 1/20 0.41
▸ NCOA2 Q15596 1/20 0.41
▸ NCOA1 Q15788 1/20 0.41
▸ NPC1 O15118 5/20 0.40
▸ KMT2A Q03164 1/20 0.39
▸ GLA P06280 1/20 0.39

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
SCHEMBL31087243 0.82 KDM4E (0.52) KDM4ELMNARXFP1IDO1ALDH1A1
SCHEMBL5890646 0.82 KDM4E (0.52) KDM4ELMNARXFP1IDO1ALDH1A1
SCHEMBL9018825 0.76 PTPN1 (0.42) KDM4ELMNARXFP1IDO1ALDH1A1
SCHEMBL7411224 0.73 ALDH1A1 (0.58) KDM4ELMNARXFP1IDO1ALDH1A1
SCHEMBL30478007 0.73 ALDH1A1 (0.58) KDM4ELMNARXFP1IDO1ALDH1A1
SCHEMBL16856525 0.73 KDM4E (0.39) KDM4ELMNARXFP1IDO1ALDH1A1
SCHEMBL812717 0.73 ALDH1A1 (0.43) KDM4ELMNARXFP1IDO1ALDH1A1
SCHEMBL18214562 0.71 KDM4E (0.44) KDM4ELMNARXFP1IDO1ALDH1A1
SCHEMBL14252184 0.71 CYP1A2 (0.38) KDM4ELMNARXFP1IDO1ALDH1A1
SCHEMBL24510859 0.70 RAB9A (0.46) KDM4ELMNARXFP1IDO1ALDH1A1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1807481-B1 ORGANIC ELECTROLUMINESCENT DEVICE MERCK PATENT GMBH (DE) 2018-06-20 — — EP disclosed
EP-1807481-B1 ORGANIC ELECTROLUMINESCENT DEVICE MERCK PATENT GMBH (DE) 2018-06-20 — — EP disclosed
US-8940407-B2 Organic electroluminescent device MERCK PATENT GMBH (DE) 2015-01-27 — — US disclosed
US-8940407-B2 Organic electroluminescent device MERCK PATENT GMBH (DE) 2015-01-27 — — US disclosed
US-8940407-B2 Organic electroluminescent device MERCK PATENT GMBH (DE) 2015-01-27 — — US disclosed
US-20090072712-A1 Organic Electroluminescent Device MERCK PATENT GMBH (DE) 2009-03-19 — — US disclosed
US-20090072712-A1 Organic Electroluminescent Device MERCK PATENT GMBH (DE) 2009-03-19 — — US disclosed
US-20090072712-A1 Organic Electroluminescent Device MERCK PATENT GMBH (DE) 2009-03-19 — — US disclosed
EP-1807481-A1 ORGANIC ELECTROLUMINESCENT DEVICE Merck Patent GmbH (DE) 2007-07-18 — — EP disclosed
WO-2006048268-A1 ORGANIC ELECTROLUMINESCENT DEVICE MERCK PATENT GMBH (DE) 2006-05-11 — — WO 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-20090072712-A1 Organic Electroluminescent Device MAL2, ELAVL1, ELAVL3 KDM4E 2370/4885LMNA 3781/4885RXFP1 4844/4885

“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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