SCHEMBL19656304

SCHEMBL19656304

Cc1cc(C(=O)NC(C)(C)C)cc(-c2ccc(Cl)cc2)c1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ANO1 Q5XXA6 2/20 0.51
SCN10A Q9Y5Y9 1/20 0.47
CNR1 P21554 1/20 0.47
TP53 P04637 1/20 0.44
MDM2 Q00987 1/20 0.44
HSD11B1 P28845 1/20 0.43
RXRA P19793 2/20 0.42
RXRB P28702 2/20 0.42
AKR1C4 P17516 1/20 0.42
AKR1C3 P42330 1/20 0.42
AKR1C2 P52895 1/20 0.42
LMNA P02545 1/20 0.42
JAK2 O60674 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
HTT P42858 1/20 0.40
SHMT1 P34896 1/20 0.40
SHMT2 P34897 1/20 0.40

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
SCHEMBL21841652 0.89 RXRA (0.46) ANO1RXRARXRBAKR1C4AKR1C3
SCHEMBL18512788 0.86 L3MBTL1 (0.51) ANO1SCN10ACNR1RXRARXRB
SCHEMBL19656295 0.86 CNR2 (0.46) ANO1SCN10ACNR1RXRARXRB
SCHEMBL19656298 0.86 SCN10A (0.43) ANO1SCN10ACNR1RXRARXRB
SCHEMBL19656312 0.85 SCN10A (0.47) ANO1SCN10ATP53RXRARXRB
SCHEMBL18512933 0.85 SCN10A (0.43) ANO1SCN10ARXRARXRBAKR1C4
SCHEMBL19656291 0.85 SCN10A (0.43) ANO1SCN10ARXRARXRBAKR1C4
SCHEMBL18285294 0.84 CNR1 (0.46) ANO1SCN10ACNR1TP53MDM2
SCHEMBL18285300 0.84 TP53 (0.49) ANO1SCN10ACNR1TP53MDM2
SCHEMBL29727682 0.84 TP53 (0.49) ANO1SCN10ACNR1TP53MDM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3526201-B1 IMIDAZOLE COMPOUNDS AS EAAT3 INHIBITORS HOFFMANN LA ROCHE (CH) 2020-11-18 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-10457644-B2 Pyrazol compounds as EAAT3 inhibitors HOFFMAN-LA ROCHE INC. (US) 2019-10-29 US disclosed
US-20190233379-A1 IMIDAZOLE COMPOUNDS AS EAAT3 INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2019-08-01 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
US-10005736-B1 Pyridine and pyrimidine derivatives HOFFMAN-LA ROCHE INC. (US) 2018-06-26 US disclosed
US-20180162824-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2018-06-14 US disclosed
WO-2017202896-A1 PYRAZOL COMPOUNDS AS EAAT3 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2017-11-30 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 ANO1 902/4885SCN10A 1077/4885CNR1 14/4885
US-20190119218-A1 PYRAZOL COMPOUNDS AS EAAT3 INHIBITORS SLC1A1, SLC1A3, SLC1A2 ANO1 560/4885SCN10A 1487/4885CNR1 2073/4885
US-10457644-B2 Pyrazol compounds as EAAT3 inhibitors SLC1A1, SLC1A3, SLC1A2 ANO1 560/4885SCN10A 1487/4885CNR1 2073/4885
US-10556870-B2 Imidazole compounds as EAAT3 inhibitors SLC1A1, SLC1A3, SLC1A2 ANO1 956/4885SCN10A 1354/4885CNR1 2639/4885
US-20190233379-A1 IMIDAZOLE COMPOUNDS AS EAAT3 INHIBITORS SLC1A1, SLC1A3, SLC1A2 ANO1 956/4885SCN10A 1354/4885CNR1 2639/4885
US-10005736-B1 Pyridine and pyrimidine derivatives MC3R, MC2R, NPY1R ANO1 902/4885SCN10A 1077/4885CNR1 14/4885

“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.