SCHEMBL2605985

SCHEMBL2605985

Cc1ccc2c(c1)C(c1nc(-c3ccccc3)nc(-c3ccccc3)n1)(c1nc(-c3ccccc3)nc(-c3ccccc3)n1)c1cc(C)ccc1-2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 3/20 0.46
▸ NPC1 O15118 3/20 0.43
▸ RAB9A P51151 3/20 0.43
▸ HPGD P15428 2/20 0.43
▸ TP53 P04637 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ ALDH1A1 P00352 3/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ PSMB5 P28074 1/20 0.40
▸ MEN1 O00255 4/20 0.39
▸ KMT2A Q03164 4/20 0.39
▸ GBA1 P04062 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ MAPT P10636 2/20 0.39
▸ ABCB1 P08183 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ ABCG2 Q9UNQ0 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
SCHEMBL2606139 0.89 L3MBTL1 (0.39) L3MBTL1NPC1RAB9AHPGDTP53
SCHEMBL12133671 0.88 L3MBTL1 (0.46) L3MBTL1NPC1RAB9AHPGDTP53
SCHEMBL16175924 0.84 PDK2 (0.43) L3MBTL1NPC1RAB9AHPGDTP53
SCHEMBL25464734 0.82 PDK2 (0.44) L3MBTL1NPC1RAB9AHPGDTP53
SCHEMBL25946577 0.82 PDK2 (0.44) L3MBTL1NPC1RAB9AHPGDTP53
SCHEMBL2606040 0.81 NPC1 (0.41) L3MBTL1NPC1RAB9ATP53MAPK1
SCHEMBL26728819 0.81 ABCG2 (0.40) L3MBTL1NPC1RAB9AHPGDTP53
SCHEMBL12133792 0.80 L3MBTL1 (0.44) L3MBTL1NPC1RAB9AHPGDTP53
SCHEMBL1168392 0.80 L3MBTL1 (0.45) L3MBTL1NPC1RAB9AHPGDTP53
SCHEMBL19743185 0.79 L3MBTL1 (0.43) L3MBTL1NPC1RAB9AHPGDTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023117835-A1 ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2023-06-29 — — WO disclosed
US-8361638-B2 Fluorine derivatives for organic electroluminescence devices MERCK PATENT GMBH (DE) 2013-01-29 — — US disclosed
US-8361638-B2 Fluorine derivatives for organic electroluminescence devices MERCK PATENT GMBH (DE) 2013-01-29 — — US disclosed
EP-2260023-B1 FLUORENE DERIVATIVES FOR ORGANIC ELECTROLUMINESCENCE DEVICES MERCK PATENT GMBH (DE) 2012-04-25 — — EP disclosed
US-20110037027-A1 FLUORINE DERIVATIVES FOR ORGANIC ELECTROLUMINESCENCE DEVICES MERCK PATENT GMBH (DE) 2011-02-17 — — US disclosed
US-20110037027-A1 FLUORINE DERIVATIVES FOR ORGANIC ELECTROLUMINESCENCE DEVICES MERCK PATENT GMBH (DE) 2011-02-17 — — US disclosed
WO-2009124627-A1 FLUORINE DERIVATIVES FOR ORGANIC ELECTROLUMINESCENCE DEVICES MERCK PATENT GMBH (DE) 2009-10-15 — — 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-20110037027-A1 FLUORINE DERIVATIVES FOR ORGANIC ELECTROLUMINESCENCE DEVICES SLCO4C1, CTCF, AFF2 L3MBTL1 1536/4885NPC1 712/4885RAB9A 1189/4885

“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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