Sugi Predict

Sugi Predict / Compounds / SCHEMBL956649

SCHEMBL956649

SCHEMBL956649

COc1cccc(Cl)c1CC#N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 3/20 0.41
▸ RAB9A P51151 3/20 0.41
▸ L3MBTL1 Q9Y468 3/20 0.40
▸ ALDH1A1 P00352 3/20 0.39
▸ MAPT P10636 3/20 0.39
▸ PLA2G1B P04054 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ ATG4B Q9Y4P1 1/20 0.39
▸ HTR1A P08908 1/20 0.38
▸ HTR1D P28221 1/20 0.38
▸ HTR1B P28222 1/20 0.38
▸ HTR2A P28223 1/20 0.38
▸ HTR2C P28335 1/20 0.38
▸ HTR1E P28566 1/20 0.38
▸ HTR7 P34969 1/20 0.38
▸ HTR2B P41595 1/20 0.38
▸ HTR5A P47898 1/20 0.38
▸ HTR6 P50406 1/20 0.38
▸ DPP4 P27487 1/20 0.38
▸ LMNA P02545 1/20 0.37

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
SCHEMBL31447072 1.00 NPC1 (0.41) NPC1RAB9AL3MBTL1ALDH1A1MAPT
SCHEMBL7332578 0.87 CA1 (0.44) NPC1RAB9AALDH1A1MAPTHTR7
SCHEMBL14098008 0.84 DPP4 (0.42) NPC1RAB9AL3MBTL1ALDH1A1MAPT
SCHEMBL3212566 0.83 NPC1 (0.39) NPC1RAB9AL3MBTL1ALDH1A1MAPT
SCHEMBL779716 0.80 TAAR1 (0.44) NPC1RAB9ALMNANPSR1SMN1; SMN2
SCHEMBL506269 0.80 NPC1 (0.40) NPC1RAB9AALDH1A1MAPTHTR2A
SCHEMBL7769554 0.79 DPP4 (0.63) L3MBTL1ALDH1A1MAPTPOLBDPP4
SCHEMBL19816894 0.79 MEN1 (0.35) ALDH1A1MAPTHTR1DHTR2CDPP4
SCHEMBL23860831 0.79 POLB (0.45) ALDH1A1MAPTPOLBHTR2AMEN1
SCHEMBL12429234 0.79 HTR2A (0.39) NPC1RAB9AL3MBTL1ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9714247-B2 Multiple kinase pathway inhibitors TOLERO PHARMACEUTICALS, INC. (US) 2017-07-25 — — US disclosed
US-9714247-B2 Multiple kinase pathway inhibitors TOLERO PHARMACEUTICALS, INC. (US) 2017-07-25 — — US disclosed
US-9714247-B2 Multiple kinase pathway inhibitors TOLERO PHARMACEUTICALS, INC. (US) 2017-07-25 — — US disclosed
US-20170107215-A1 MULTIPLE KINASE PATHWAY INHIBITORS SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2017-04-20 — — US disclosed
US-20170107215-A1 MULTIPLE KINASE PATHWAY INHIBITORS SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2017-04-20 — — US disclosed
US-20170107215-A1 MULTIPLE KINASE PATHWAY INHIBITORS SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2017-04-20 — — US disclosed
US-9493454-B2 Multiple kinase pathway inhibitors TOLERO PHARMACEUTICALS, INC. (US) 2016-11-15 — — US disclosed
US-9493454-B2 Multiple kinase pathway inhibitors TOLERO PHARMACEUTICALS, INC. (US) 2016-11-15 — — US disclosed
US-9493454-B2 Multiple kinase pathway inhibitors TOLERO PHARMACEUTICALS, INC. (US) 2016-11-15 — — US disclosed
US-20150266870-A1 MULTIPLE KINASE PATHWAY INHIBITORS MANNKIND CORPORATION 2015-09-24 — — US disclosed
EP-0741700-B1 1-H-3-ARYLPYRROLIDINE-2,4-DIONE DERIVATIVES AS PEST-CONTROL AGENTS BAYER CROPSCIENCE AG (DE) 2009-10-07 — — EP disclosed
CN-101374516-A Use of substituted 2-imidazole of imidazoline derivatives HOFFMANN LA ROCHE (CH) 2009-02-25 — — CN disclosed
EP-1981497-A2 USE OF SUBSTITUTED 2-IMIDAZOLE OF IMIDAZOLINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2008-10-22 — — EP disclosed
US-20070197621-A1 Method for the treatment of CNS disorders with substituted 2-imidazoles or imidazole derivatives F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2007-08-23 — — US disclosed
WO-2007085557-A2 USE OF SUBSTITUTED 2-IMIDAZOLE OF IMIDAZOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-08-02 — — WO disclosed
US-6939888-B2 1-H-3-arylpirrolidine-2,4-dione derivatives BAYER AKTIENGESELLSCHAFT (DE) 2005-09-06 — — US disclosed
US-20040019061-A1 1-H-3-arylpirrolidine-2,4-dione derivatives FISCHER REINER (DE) 2004-01-29 — — US disclosed
US-6472419-B1 1-H-3-aryl-pyrrolidine-2, 4-dione derivatives as pest-control agents BAYER AKTIENGESELLSCHAFT (DE) 2002-10-29 — — US disclosed
EP-0741700-A1 1-H-3-ARYLPYRROLIDINE-2,4-DIONE DERIVATIVES AS PEST-CONTROL AGENTS BAYER AG (DE) 1996-11-13 — — EP disclosed
WO-1995020572-A1 1-H-3-ARYLPYRROLIDINE-2,4-DIONE DERIVATIVES AS PEST-CONTROL AGENTS BAYER AKTIENGESELLSCHAFT (DE) 1995-08-03 — — 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 (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-20150266870-A1 MULTIPLE KINASE PATHWAY INHIBITORS MAP3K6, MAP3K2, MAP3K1 NPC1 2969/4885RAB9A 2162/4885L3MBTL1 1150/4885
US-20170107215-A1 MULTIPLE KINASE PATHWAY INHIBITORS MAP3K6, MAP3K2, MAP3K1 NPC1 2969/4885RAB9A 2162/4885L3MBTL1 1150/4885
US-20070197621-A1 Method for the treatment of CNS disorders with substituted 2-imidazoles or imidazole derivatives GPR119, PER2, MTNR1B NPC1 105/4885RAB9A 1184/4885L3MBTL1 3459/4885
US-20040019061-A1 1-H-3-arylpirrolidine-2,4-dione derivatives PRXL2A, DDT, CYP4B1 NPC1 3160/4885RAB9A 218/4885L3MBTL1 2011/4885

“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.