SCHEMBL480097

SCHEMBL480097

CCOC(=O)c1ccc(CCl)cn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.53
CYP1A2 P05177 2/20 0.49
GABRA1 P14867 7/20 0.47
GABRG2 P18507 7/20 0.47
GABRB3 P28472 7/20 0.47
GABRA5 P31644 7/20 0.47
GABRA3 P34903 7/20 0.47
GABRA2 P47869 7/20 0.47
GABRA4 P48169 7/20 0.47
GABRA6 Q16445 7/20 0.47
GABRP O00591 6/20 0.47
GABRD O14764 6/20 0.47
GABRB1 P18505 6/20 0.47
GABRB2 P47870 6/20 0.47
GABRE P78334 6/20 0.47
GABRG1 Q8N1C3 6/20 0.47
GABRG3 Q99928 6/20 0.47
GABRQ Q9UN88 6/20 0.47
L3MBTL1 Q9Y468 2/20 0.45
LMNA P02545 4/20 0.44

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
SCHEMBL10003611 0.88 CYP1A2 (0.53) POLBCYP1A2GABRA1GABRG2GABRB3
SCHEMBL1645417 0.85 CYP1A2 (0.50) POLBCYP1A2GABRA1GABRG2GABRB3
SCHEMBL31172634 0.84 CYP4F2 (0.50) POLBCYP1A2GABRA1GABRG2GABRB3
SCHEMBL14288423 0.84 POLB (0.49) POLBCYP1A2GABRA1GABRG2GABRB3
SCHEMBL127058 0.84 POLB (0.49) POLBCYP1A2GABRA1GABRG2GABRB3
Alcohol SCHEMBL11011386 0.84 POLB (0.49) POLBCYP1A2GABRA1GABRG2GABRB3
SCHEMBL2251401 0.83 MAPK1 (0.59) POLBCYP1A2GABRA1GABRG2GABRB3
SCHEMBL12359014 0.83 POLB (0.51) POLBCYP1A2GABRA1GABRG2GABRB3
SCHEMBL22912573 0.83 POLB (0.51) POLBCYP1A2GABRA1GABRG2GABRB3
SCHEMBL8257986 0.83 POLB (0.48) POLBCYP1A2GABRA1GABRG2GABRB3

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
EP-3049391-B1 INDOLE AND INDAZOLE DERIVATIVES HOFFMANN LA ROCHE (CH) 2018-12-26 EP disclosed
US-9708259-B2 Indol and indazol derivatives HOFFMANN-LA ROCHE INC. (US) 2017-07-18 US disclosed
US-20160207885-A1 INDOL AND INDAZOL DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2016-07-21 US disclosed
US-9085572-B2 4-(pyridin-3-yl)-2(pyridin-2yl)-1,2-dihydro-3H-pyrazol-3-one derivatives as specific HIF-pyrolyl-4-hydroxylase inhibitors for treating cardiovascular and haematological diseases BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-07-21 US disclosed
EP-2411361-B1 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS HOFFMANN LA ROCHE (CH) 2014-06-18 EP disclosed
US-20120322772-A1 SUBSTITUTED IMIDAZOPYRIMIDINES AND TRIAZOLOPYRIMIDINES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-12-20 US disclosed
US-8252817-B2 Dipyridyl-dihydropyrazolones and their use BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-08-28 US disclosed
US-8138189-B2 Substituted benzene compounds as modulators of the glucocorticoid receptor HOFFMAN-LA ROCHE INC. (US) 2012-03-20 US disclosed
EP-2411361-A1 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS F. Hoffmann-La Roche AG (CH) 2012-02-01 EP disclosed
WO-2010108902-A1 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2010-09-30 WO disclosed
US-5750704-A INSECTICIDES NIHON BAYER AGROCHEM K.K. (JP) 1998-05-12 US disclosed
US-5580889-A Insecticidal nitromethyl or niteoimino-heteromethyl-heterocyclics NIHON BAYER AGROCHEM K.K. (JP) 1996-12-03 US disclosed
US-5461167-A 2-chloro-5-chloromethyl thiazole; insecticide NIHON BAYER AGROCHEM K.K. (JP) 1995-10-24 US disclosed
US-5428032-A Insecticides NIHON BAYER AGROCHEM K.K. (JP) 1995-06-27 US disclosed
US-5298507-A Insecticides NIHON BAYER AGROCHEM K.K. (JP) 1994-03-29 US disclosed
US-5204360-A Insecticides NIHON BAYER AGROCHEM K.K. (JP) 1993-04-20 US disclosed
US-5001138-A Insecticides NIHON TOKUSHU NOYAKU SEIZO, K.K. (JP) 1991-03-19 US disclosed
US-4845106-A INSECTICIDES NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1989-07-04 US disclosed
US-4742060-A 2-(NITROIMINO)- OR 2-(NITROMETHYLENE)-IMIDAZOLIDINES AS INSECTICIDES NIHON TOKUSHU NOYAKU SEIZO K. K. (JP) 1988-05-03 US disclosed
EP-0192060-A1 Heterocyclic compounds NIHON BAYER AGROCHEM K.K. (JP) 1986-08-27 EP 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-20120322772-A1 SUBSTITUTED IMIDAZOPYRIMIDINES AND TRIAZOLOPYRIMIDINES PPIP5K2, THPO, DPYD POLB 1191/4885CYP1A2 2614/4885GABRA1 4382/4885
US-20160207885-A1 INDOL AND INDAZOL DERIVATIVES CHRNA7, CHRM1, CHRNA3 POLB 4095/4885CYP1A2 381/4885GABRA1 815/4885

“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.