SCHEMBL802464

SCHEMBL802464

Cc1ccc2c(c1)C(C)(C)c1cc3c(cc1-2)c1cc2c(cc1n3-c1nc(-c3ccccc3)nc(-c3ccccc3)n1)C(C)(C)c1cc(C)ccc1-2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 4/20 0.36
▸ RAB9A P51151 4/20 0.36
▸ L3MBTL1 Q9Y468 3/20 0.36
▸ NPSR1 Q6W5P4 3/20 0.36
▸ TP53 P04637 2/20 0.36
▸ HPGD P15428 2/20 0.36
▸ TSHR P16473 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ MEN1 O00255 4/20 0.35
▸ KMT2A Q03164 4/20 0.35
▸ MAPT P10636 4/20 0.34
▸ ADORA3 P0DMS8 4/20 0.34
▸ ABCG2 Q9UNQ0 2/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ ADORA2A P29274 1/20 0.34
▸ ADORA1 P30542 1/20 0.34
▸ ABCB1 P08183 1/20 0.34
▸ ALDH1A1 P00352 3/20 0.34
▸ KDM4E B2RXH2 2/20 0.34

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
SCHEMBL802586 0.96 MEN1 (0.35) NPC1RAB9AL3MBTL1NPSR1TP53
SCHEMBL17985339 0.91 MEN1 (0.33) NPC1RAB9AL3MBTL1NPSR1TP53
SCHEMBL802107 0.89 L3MBTL1 (0.35) NPC1RAB9AL3MBTL1HPGDTSHR
SCHEMBL16521291 0.87 MEN1 (0.35) L3MBTL1HPGDTSHRMEN1KMT2A
SCHEMBL19474359 0.87 MEN1 (0.35) L3MBTL1HPGDTSHRMEN1KMT2A
SCHEMBL16521295 0.87 MEN1 (0.35) L3MBTL1HPGDTSHRMEN1KMT2A
SCHEMBL10046644 0.86 MEN1 (0.33) NPC1RAB9AL3MBTL1NPSR1TP53
SCHEMBL10046645 0.86 ADORA3 (0.34) NPC1RAB9AL3MBTL1NPSR1TP53
SCHEMBL802953 0.86 MEN1 (0.36) L3MBTL1HPGDMEN1KMT2AMAPT
SCHEMBL801965 0.85 MEN1 (0.35) L3MBTL1HPGDMEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9537105-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2017-01-03 — — US disclosed
US-20150318478-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2015-11-05 — — US disclosed
US-20150318478-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2015-11-05 — — US disclosed
US-9126970-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2015-09-08 — — US disclosed
US-9126970-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2015-09-08 — — US disclosed
US-20120068170-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2012-03-22 — — US disclosed
US-20120068170-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2012-03-22 — — US disclosed
WO-2010136109-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2010-12-02 — — 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 (2 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-20150318478-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES SLCO2B1, SLCO1B3, SLCO4C1 NPC1 868/4885RAB9A 2982/4885L3MBTL1 3941/4885
US-20120068170-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES SLCO2B1, SLCO1B3, SLCO4C1 NPC1 868/4885RAB9A 2982/4885L3MBTL1 3941/4885

“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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