SCHEMBL18285294

SCHEMBL18285294

CC(C)(C)NC(=O)c1cc(I)cc(-c2ccc(Cl)cc2)c1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.46
TP53 P04637 1/20 0.43
MDM2 Q00987 1/20 0.43
LMNA P02545 1/20 0.41
HSD11B1 P28845 1/20 0.40
ANO1 Q5XXA6 3/20 0.40
JAK2 O60674 1/20 0.40
POLB P06746 1/20 0.39
TRPA1 O75762 1/20 0.38
IKBKB O14920 1/20 0.38
CHUK O15111 1/20 0.38
SCN10A Q9Y5Y9 1/20 0.38
SUCNR1 Q9BXA5 1/20 0.38

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
SCHEMBL29727678 0.87 CNR2 (0.45) CNR1ANO1POLB
SCHEMBL18285292 0.87 CYP1A2 (0.36) CNR1POLBIKBKBCHUKSCN10A
SCHEMBL18285345 0.87 L3MBTL1 (0.47) CNR1ANO1SCN10ASUCNR1
SCHEMBL29727644 0.87 L3MBTL1 (0.47) CNR1ANO1SCN10ASUCNR1
SCHEMBL18285279 0.87 CNR2 (0.45) CNR1ANO1POLB
SCHEMBL18285281 0.86 JAK2 (0.40) TP53LMNAANO1JAK2POLB
SCHEMBL29727624 0.85 MEN1 (0.39) CNR1ANO1POLBIKBKBCHUK
SCHEMBL18512930 0.85 SHMT1 (0.36) CNR1LMNAANO1POLBIKBKB
SCHEMBL19641940 0.85 MEN1 (0.39) CNR1ANO1POLBIKBKBCHUK
SCHEMBL18285322 0.84 SLC6A3 (0.36) CNR1HSD11B1ANO1POLBIKBKB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109563049-B Imidazole compounds as EAAT3 inhibitors 豪夫迈·罗氏有限公司 2022-11-29 CN disclosed
CN-109071451-B Pyrazole compounds as EAAT3 inhibitors 豪夫迈·罗氏有限公司 2022-07-15 CN disclosed
CN-107531642-B Imidazole derivatives 豪夫迈·罗氏有限公司 2021-06-22 CN disclosed
EP-3526201-B1 IMIDAZOLE COMPOUNDS AS EAAT3 INHIBITORS HOFFMANN LA ROCHE (CH) 2020-11-18 EP disclosed
EP-3526201-B1 IMIDAZOLE COMPOUNDS AS EAAT3 INHIBITORS HOFFMANN LA ROCHE (CH) 2020-11-18 EP disclosed
CN-107922391-B Pyridine and pyrimidine derivatives 豪夫迈·罗氏有限公司 2020-09-25 CN disclosed
EP-3464246-B1 PYRAZOL COMPOUNDS AS EAAT3 INHIBITORS HOFFMANN LA ROCHE (CH) 2020-07-08 EP disclosed
EP-3464246-B1 PYRAZOL COMPOUNDS AS EAAT3 INHIBITORS HOFFMANN LA ROCHE (CH) 2020-07-08 EP disclosed
US-10556870-B2 Imidazole compounds as EAAT3 inhibitors HOFFMANN-LA ROCHE INC. (US) 2020-02-11 US disclosed
US-10556870-B2 Imidazole compounds as EAAT3 inhibitors HOFFMANN-LA ROCHE INC. (US) 2020-02-11 US disclosed
US-20180162824-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2018-06-14 US disclosed
US-20180162824-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2018-06-14 US disclosed
US-20180118692-A1 IMIDAZOLE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2018-05-03 US disclosed
WO-2018069362-A1 IMIDAZOLE COMPOUNDS AS EAAT3 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2018-04-19 WO disclosed
EP-3303299-A1 IMIDAZOLE DERIVATIVES H. Hoffnabb-La Roche Ag (CH) 2018-04-11 EP disclosed
WO-2017202896-A1 PYRAZOL COMPOUNDS AS EAAT3 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2017-11-30 WO disclosed
WO-2017202896-A1 PYRAZOL COMPOUNDS AS EAAT3 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2017-11-30 WO disclosed
WO-2017025523-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2017-02-16 WO disclosed
WO-2017025523-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2017-02-16 WO disclosed
WO-2016193235-A1 IMIDAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2016-12-08 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 (3 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-20180162824-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES MC3R, MC2R, NPY1R CNR1 14/4885TP53 3642/4885MDM2 4721/4885
US-20180118692-A1 IMIDAZOLE DERIVATIVES DRD3, GABRR3, DRD4 CNR1 214/4885TP53 3961/4885MDM2 4433/4885
US-10556870-B2 Imidazole compounds as EAAT3 inhibitors SLC1A1, SLC1A3, SLC1A2 CNR1 2639/4885TP53 3665/4885MDM2 4258/4885

“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.