SCHEMBL18285353

SCHEMBL18285353

CC(C)(NC(=O)c1cc(-c2ccc(Cl)cc2)cc([N+](=O)[O-])c1)C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.47
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
HTT P42858 4/20 0.47
ALOX12 P18054 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
ALDH1A1 P00352 2/20 0.47
HPGD P15428 1/20 0.47
POLB P06746 1/20 0.44
RECQL P46063 1/20 0.43
ALOX5 P09917 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
PDK1 Q15118 1/20 0.40
PDK2 Q15119 1/20 0.40
PDK3 Q15120 1/20 0.40
PDK4 Q16654 1/20 0.40
P2RX1 P51575 1/20 0.38
P2RX4 Q99571 1/20 0.38
P2RX7 Q99572 1/20 0.38
GAA P10253 2/20 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
SCHEMBL29727620 1.00 MAPT (0.47) MAPTMEN1KMT2AHTTALOX12
SCHEMBL18285326 0.88 MEN1 (0.46) MAPTMEN1KMT2AHTTALOX12
SCHEMBL29727640 0.84 HTT (0.49) MAPTMEN1KMT2AHTTALOX12
SCHEMBL29727653 0.84 HTT (0.49) MAPTMEN1KMT2AHTTALOX12
SCHEMBL18285325 0.84 HTT (0.49) MAPTMEN1KMT2AHTTALOX12
SCHEMBL18285290 0.84 HTT (0.49) MAPTMEN1KMT2AHTTALOX12
SCHEMBL18285351 0.82 MEN1 (0.41) MAPTMEN1KMT2AHTTALOX12
SCHEMBL29727623 0.82 MEN1 (0.41) MAPTMEN1KMT2AHTTALOX12
SCHEMBL19656298 0.82 SCN10A (0.43) HTTPOLBPDK1PDK2PDK3
SCHEMBL29727645 0.81 SCN10A (0.38) POLBPDK1PDK2PDK3PDK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
US-10457644-B2 Pyrazol compounds as EAAT3 inhibitors HOFFMAN-LA ROCHE INC. (US) 2019-10-29 US disclosed
EP-3334727-B1 PYRIDINE AND PYRIMIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2019-05-15 EP disclosed
US-20190119218-A1 PYRAZOL COMPOUNDS AS EAAT3 INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2019-04-25 US disclosed
EP-3303299-B1 IMIDAZOLE DERIVATIVES HOFFMANN LA ROCHE (CH) 2019-04-24 EP disclosed
EP-3464246-A1 PYRAZOL COMPOUNDS AS EAAT3 INHIBITORS H. Hoffnabb-La Roche Ag (CH) 2019-04-10 EP disclosed
US-10029989-B2 Imidazole derivatives HOFFMANN-LA ROCHE INC. (US) 2018-07-24 US disclosed
US-10005736-B1 Pyridine and pyrimidine derivatives HOFFMAN-LA ROCHE INC. (US) 2018-06-26 US disclosed
EP-3334727-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES H. Hoffnabb-La Roche Ag (CH) 2018-06-20 EP 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
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-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 (6 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 MAPT 2557/4885MEN1 3098/4885KMT2A 3486/4885
US-20190119218-A1 PYRAZOL COMPOUNDS AS EAAT3 INHIBITORS SLC1A1, SLC1A3, SLC1A2 MAPT 1874/4885MEN1 3613/4885KMT2A 1119/4885
US-10457644-B2 Pyrazol compounds as EAAT3 inhibitors SLC1A1, SLC1A3, SLC1A2 MAPT 1874/4885MEN1 3613/4885KMT2A 1119/4885
US-20180118692-A1 IMIDAZOLE DERIVATIVES DRD3, GABRR3, DRD4 MAPT 1750/4885MEN1 2608/4885KMT2A 2209/4885
US-10029989-B2 Imidazole derivatives DRD3, GABRR3, DRD4 MAPT 1750/4885MEN1 2608/4885KMT2A 2209/4885
US-10005736-B1 Pyridine and pyrimidine derivatives MC3R, MC2R, NPY1R MAPT 2557/4885MEN1 3098/4885KMT2A 3486/4885

“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.