Sugi Predict

Sugi Predict / Compounds / SCHEMBL935993

SCHEMBL935993

SCHEMBL935993

CCOC(=N)C(CCCCl)c1ccccc1C(F)(F)F

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ SLC6A4 P31645 1/20 0.34
▸ TDP1 Q9NUW8 4/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ HSD11B1 P28845 1/20 0.33
▸ EPHX2 P34913 3/20 0.32
▸ PPARG P37231 3/20 0.32
▸ KCNK3 O14649 1/20 0.32
▸ KCNK9 Q9NPC2 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ CNR2 P34972 2/20 0.32
▸ CASP1 P29466 1/20 0.32
▸ ACP3 P15309 1/20 0.32
▸ MC4R P32245 1/20 0.32
▸ P2RX7 Q99572 1/20 0.31

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
SCHEMBL12462544 1.00 KDM4E (0.34) KDM4EKMT2ASLC6A4TDP1SMN1; SMN2
SCHEMBL7899801 1.00 KDM4E (0.34) KDM4EKMT2ASLC6A4TDP1SMN1; SMN2
Hydrochloric Acid SCHEMBL195473 0.99 KDM4E (0.34) KDM4EKMT2ASLC6A4TDP1SMN1; SMN2
SCHEMBL7916750 0.92 SLC6A4 (0.36) KDM4EKMT2ASLC6A4TDP1HSD11B1
SCHEMBL2145411 0.91 TDP1 (0.32) KDM4EKMT2ASLC6A4TDP1SMN1; SMN2
Hydrochloric Acid SCHEMBL251046 0.91 SLC6A4 (0.35) KDM4EKMT2ASLC6A4TDP1HSD11B1
SCHEMBL12462315 0.89 SLC6A4 (0.35) KDM4EKMT2ASLC6A4TDP1HSD11B1
SCHEMBL12395067 0.87 SLC6A4 (0.38) KDM4EKMT2ASLC6A4SMN1; SMN2HSD11B1
SCHEMBL7920272 0.85 HTT (0.34) KMT2ASLC6A4TDP1ALDH1A1
SCHEMBL7914930 0.85 — —

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9453000-B2 Polycyclic compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2016-09-27 — — US disclosed
EP-2731948-B1 NOVEL SUBSTITUTED INDOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS JANSSEN PHARMACEUTICALS INC (US) 2015-09-09 — — EP disclosed
US-9115143-B2 Substituted indole derivatives as gamma secretase modulators Janssen Pharmaceuticals, Inc. (US) 2015-08-25 — — US disclosed
US-9115143-B2 Substituted indole derivatives as gamma secretase modulators Janssen Pharmaceuticals, Inc. (US) 2015-08-25 — — US disclosed
US-8946266-B2 Substituted triazole and imidazole derivatives as gamma secretase modulators Janssen Pharmaceuticals, Inc. (US) 2015-02-03 — — US disclosed
EP-2454239-B1 SUBSTITUTED TRIAZOLE AND IMIDAZOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS JANSSEN PHARMACEUTICALS INC (US) 2014-08-13 — — EP disclosed
US-8754100-B2 Nitrogen-containing fused heterocyclic compounds and their use as beta amyloid production inhibitors EISAI R&D MANAGEMENT CO., LTD. (JP) 2014-06-17 — — US disclosed
US-8754100-B2 Nitrogen-containing fused heterocyclic compounds and their use as beta amyloid production inhibitors EISAI R&D MANAGEMENT CO., LTD. (JP) 2014-06-17 — — US disclosed
US-20140148450-A1 NOVEL SUBSTITUTED INDOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2014-05-29 — — US disclosed
US-20140148450-A1 NOVEL SUBSTITUTED INDOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2014-05-29 — — US disclosed
US-20110172427-A1 PROCESS FOR PREPARING CERTAIN CINNAMIDE COMPOUNDS EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-07-14 — — US disclosed
US-20110172427-A1 PROCESS FOR PREPARING CERTAIN CINNAMIDE COMPOUNDS EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-07-14 — — US disclosed
US-7935815-B2 Imidazoyl pyridine compounds and salts thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-05-03 — — US disclosed
US-7935815-B2 Imidazoyl pyridine compounds and salts thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-05-03 — — US disclosed
US-20110065696-A1 IMIDAZOYL PYRIDINE COMPOUNDS AND SALTS THEREOF KIMURA TEIJI 2011-03-17 — — US disclosed
WO-2011006903-A1 SUBSTITUTED TRIAZOLE AND IMIDAZOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS ORTHO-MCNEIL-JANSSEN PHARMACEUTICALS, INC (US) 2011-01-20 — — WO disclosed
EP-2181992-A1 POLYCYCLIC COMPOUND Eisai R&D Management Co., Ltd. (JP) 2010-05-05 — — EP disclosed
WO-2010025197-A1 PROCESS FOR PREPARING CERTAIN CINNAMIDE COMPOUNDS EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-03-04 — — WO disclosed
US-20090062529-A1 MULTI-CYCLIC COMPOUNDS EISAI R&D MANAGEMENT CO., LTD., (JP) 2009-03-05 — — US disclosed
US-20090062529-A1 MULTI-CYCLIC COMPOUNDS EISAI R&D MANAGEMENT CO., LTD., (JP) 2009-03-05 — — 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 (4 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-20110172427-A1 PROCESS FOR PREPARING CERTAIN CINNAMIDE COMPOUNDS CYP4A11, CYP51A1, NISCH KDM4E 1990/4885KMT2A 4044/4885SLC6A4 3115/4885
US-20140148450-A1 NOVEL SUBSTITUTED INDOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS BACE1, BACE2, APP KDM4E 2161/4885KMT2A 2344/4885SLC6A4 2073/4885
US-20110065696-A1 IMIDAZOYL PYRIDINE COMPOUNDS AND SALTS THEREOF APP, PSEN1, BACE1 KDM4E 3909/4885KMT2A 2241/4885SLC6A4 2079/4885
US-20090062529-A1 MULTI-CYCLIC COMPOUNDS APP, BACE1, PSEN1 KDM4E 4155/4885KMT2A 2179/4885SLC6A4 3344/4885

“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.