SCHEMBL18285352

SCHEMBL18285352

CC(C)(C)NC(=O)c1cc(I)cc([N+](=O)[O-])c1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
LMNA P02545 1/20 0.46
ALDH1A1 P00352 2/20 0.43
ALOX5 P09917 2/20 0.43
MAPT P10636 3/20 0.43
GAA P10253 1/20 0.43
GALR3 O60755 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL13139937 0.89 SMN1; SMN2 (0.59) HTTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL3072799 0.89 SMN1; SMN2 (0.56) HTTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL18172332 0.86 SMN1; SMN2 (0.55) HTTSMN1; SMN2MEN1KMT2ALMNA
SCHEMBL18496587 0.86 HTT (0.55) HTTSMN1; SMN2MEN1KMT2ALMNA
SCHEMBL29727685 0.86 SMN1; SMN2 (0.55) HTTSMN1; SMN2MEN1KMT2ALMNA
SCHEMBL18496608 0.85 HTT (0.45) HTTSMN1; SMN2MEN1KMT2ALMNA
SCHEMBL15874264 0.79 SMN1; SMN2 (0.48) HTTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL28009625 0.77 SMN1; SMN2 (0.45) HTTSMN1; SMN2MEN1KMT2ALMNA
SCHEMBL5505631 0.77 KMT2A (0.63) SMN1; SMN2MEN1KMT2ALMNAALDH1A1
SCHEMBL310417 0.76 HTT (0.53) HTTSMN1; SMN2MEN1KMT2ALMNA

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 29 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
CN-108137566-B Triazole derivatives 豪夫迈·罗氏有限公司 2021-05-25 CN 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-3359537-B1 TRIAZOLE DERIVATIVES HOFFMANN LA ROCHE (CH) 2020-03-25 EP disclosed
US-10556870-B2 Imidazole compounds as EAAT3 inhibitors HOFFMANN-LA ROCHE INC. (US) 2020-02-11 US disclosed
US-10457644-B2 Pyrazol compounds as EAAT3 inhibitors HOFFMAN-LA ROCHE INC. (US) 2019-10-29 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
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-2017060202-A1 TRIAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2017-04-13 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 (5 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 HTT 1312/4885SMN1; SMN2 3356/4885MEN1 3098/4885
US-10457644-B2 Pyrazol compounds as EAAT3 inhibitors SLC1A1, SLC1A3, SLC1A2 HTT 1122/4885SMN1; SMN2 4697/4885MEN1 3613/4885
US-20180118692-A1 IMIDAZOLE DERIVATIVES DRD3, GABRR3, DRD4 HTT 530/4885SMN1; SMN2 3964/4885MEN1 2608/4885
US-10556870-B2 Imidazole compounds as EAAT3 inhibitors SLC1A1, SLC1A3, SLC1A2 HTT 678/4885SMN1; SMN2 4782/4885MEN1 2650/4885
US-10005736-B1 Pyridine and pyrimidine derivatives MC3R, MC2R, NPY1R HTT 1312/4885SMN1; SMN2 3356/4885MEN1 3098/4885

“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.