SCHEMBL18668409

SCHEMBL18668409

COC(=O)c1ncc(Cl)cc1CBr

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.40
ALDH1A1 P00352 2/20 0.40
POLB P06746 2/20 0.40
MAPK1 P28482 2/20 0.40
KDM4E B2RXH2 1/20 0.40
GMNN O75496 1/20 0.40
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
GABRA1 P14867 1/20 0.40
TSHR P16473 1/20 0.40
GABRG2 P18507 1/20 0.40
NFKB1 P19838 1/20 0.40
APEX1 P27695 1/20 0.40
GABRB3 P28472 1/20 0.40
CASP1 P29466 1/20 0.40
GABRA5 P31644 1/20 0.40
GABRA3 P34903 1/20 0.40
GABRA2 P47869 1/20 0.40
GABRB2 P47870 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
SCHEMBL29572125 1.00 MAPT (0.40) MAPTALDH1A1POLBMAPK1KDM4E
SCHEMBL15271092 0.83 ALDH1A1 (0.36) MAPTALDH1A1POLBMAPK1KDM4E
SCHEMBL30745103 0.83 CYP4F2 (0.40) MAPTALDH1A1POLBMAPK1KDM4E
SCHEMBL289465 0.83 CYP4F2 (0.40) MAPTALDH1A1POLBMAPK1KDM4E
SCHEMBL17131112 0.82 ALDH1A1 (0.38) MAPTALDH1A1POLBMAPK1KDM4E
SCHEMBL30402328 0.81 ALDH1A1 (0.40) MAPTALDH1A1POLBMAPK1KDM4E
SCHEMBL17544367 0.81 ALDH1A1 (0.40) MAPTALDH1A1POLBMAPK1KDM4E
SCHEMBL30849372 0.81 KDM4E (0.40) MAPTALDH1A1POLBMAPK1KDM4E
SCHEMBL31006673 0.79 PTPN1 (0.49) MAPTALDH1A1POLBMAPK1KDM4E
SCHEMBL16634805 0.79 PTPN1 (0.49) MAPTALDH1A1POLBMAPK1KDM4E

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-3596059-B1 HETEROCYCLIC COMPOUNDS USEFUL AS DUAL ATX/CA INHIBITORS HOFFMANN LA ROCHE (CH) 2024-04-24 EP disclosed
CN-110392679-B Heterocyclic compounds useful as dual ATX/CA inhibitors 豪夫迈·罗氏有限公司 2023-04-07 CN disclosed
CN-107922415-B Novel bicyclic compounds as dual ATX/CA inhibitors 豪夫迈·罗氏有限公司 2022-04-15 CN disclosed
EP-3353178-B1 BICYCLIC COMPOUNDS AS DUAL ATX/CA INHIBITORS HOFFMANN LA ROCHE (CH) 2021-07-14 EP disclosed
US-11059794-B2 Heterocyclic compounds useful as dual ATX/CA inhibitors HOFFMANN-LA ROCHE INC. (US) 2021-07-13 US disclosed
US-20200223854-A1 BICYCLIC COMPOUNDS AS DUAL ATX/CA INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2020-07-16 US disclosed
US-10647719-B2 Bicyclic compounds as dual ATX/CA inhibitors HOFFMANN-LA ROCHE INC. (US) 2020-05-12 US disclosed
US-20180215765-A1 NEW BICYCLIC COMPOUNDS AS DUAL ATX/CA INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2018-08-02 US disclosed
EP-3353178-A1 NEW BICYCLIC COMPOUNDS AS DUAL ATX/CA INHIBITORS H. Hoffnabb-La Roche Ag (CH) 2018-08-01 EP disclosed
WO-2017050791-A1 NEW BICYCLIC COMPOUNDS AS DUAL ATX/CA INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2017-03-30 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 (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-20200223854-A1 BICYCLIC COMPOUNDS AS DUAL ATX/CA INHIBITORS ATXN2, ATXN2L, ATXN10 MAPT 2303/4885ALDH1A1 4285/4885POLB 1857/4885
US-20180215765-A1 NEW BICYCLIC COMPOUNDS AS DUAL ATX/CA INHIBITORS ATXN2, ATXN2L, ATXN10 MAPT 2418/4885ALDH1A1 4352/4885POLB 1847/4885
US-10647719-B2 Bicyclic compounds as dual ATX/CA inhibitors ATXN2, ATXN2L, ATXN10 MAPT 2303/4885ALDH1A1 4285/4885POLB 1857/4885
US-11059794-B2 Heterocyclic compounds useful as dual ATX/CA inhibitors ATXN2, ATXN2L, ATXN10 MAPT 2979/4885ALDH1A1 3727/4885POLB 3069/4885

“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.