SCHEMBL18285290

SCHEMBL18285290

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
ALDH1A1 P00352 4/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
RECQL P46063 1/20 0.43
ALOX5 P09917 2/20 0.42
POLB P06746 2/20 0.40
FLT1 P17948 2/20 0.40
FLT4 P35916 2/20 0.40
KDR P35968 2/20 0.40
ANO1 Q5XXA6 1/20 0.40
MAPT P10636 2/20 0.39
HPGD P15428 1/20 0.39
ALOX12 P18054 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL29727653 1.00 HTT (0.49) HTTSMN1; SMN2ALDH1A1L3MBTL1MEN1
SCHEMBL29727640 0.91 HTT (0.49) HTTSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL18285325 0.91 HTT (0.49) HTTSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL18285326 0.88 MEN1 (0.46) HTTSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL18285353 0.84 MAPT (0.47) HTTSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL29727620 0.84 MAPT (0.47) HTTSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL3071640 0.84 SMN1; SMN2 (0.61) HTTSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL18285351 0.82 MEN1 (0.41) HTTSMN1; SMN2ALDH1A1L3MBTL1MEN1
SCHEMBL29727623 0.82 MEN1 (0.41) HTTSMN1; SMN2ALDH1A1L3MBTL1MEN1
SCHEMBL18512788 0.82 L3MBTL1 (0.51) ALDH1A1L3MBTL1MEN1KMT2AANO1

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 13 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
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
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
CN-109071451-A pyrazole compounds as EAAT3 inhibitors 豪夫迈·罗氏有限公司 2018-12-21 CN disclosed
US-10029989-B2 Imidazole derivatives HOFFMANN-LA ROCHE INC. (US) 2018-07-24 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-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 (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-20190119218-A1 PYRAZOL COMPOUNDS AS EAAT3 INHIBITORS SLC1A1, SLC1A3, SLC1A2 HTT 1122/4885SMN1; SMN2 4697/4885ALDH1A1 873/4885
US-10457644-B2 Pyrazol compounds as EAAT3 inhibitors SLC1A1, SLC1A3, SLC1A2 HTT 1122/4885SMN1; SMN2 4697/4885ALDH1A1 873/4885
US-20180118692-A1 IMIDAZOLE DERIVATIVES DRD3, GABRR3, DRD4 HTT 530/4885SMN1; SMN2 3964/4885ALDH1A1 765/4885
US-10029989-B2 Imidazole derivatives DRD3, GABRR3, DRD4 HTT 530/4885SMN1; SMN2 3964/4885ALDH1A1 765/4885

“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.