SCHEMBL23925396

SCHEMBL23925396

COC(=O)c1cc(Br)cc2c1ncn2C(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ATR Q13535 1/20 0.39
OPRK1 P41145 15/20 0.34
EED O75530 1/20 0.33
RBBP4 Q09028 1/20 0.33
SUZ12 Q15022 1/20 0.33
EZH2 Q15910 1/20 0.33
AEBP2 Q6ZN18 1/20 0.33
USP30 Q70CQ3 1/20 0.33
NOTUM Q6P988 1/20 0.32

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
SCHEMBL30242139 1.00 ATR (0.39) ATROPRK1EEDRBBP4SUZ12
SCHEMBL12818795 0.81 HSP90AA1 (0.36) USP30
SCHEMBL30521347 0.78 OPRK1 (0.39) OPRK1
SCHEMBL23800342 0.78 OPRK1 (0.39) OPRK1
SCHEMBL17113145 0.77 KMT2A (0.39) EEDRBBP4SUZ12EZH2AEBP2
SCHEMBL12818333 0.74 TTK (0.39)
SCHEMBL21839894 0.73 L3MBTL1 (0.38) OPRK1USP30
SCHEMBL559566 0.73 USP30 (0.38) USP30
SCHEMBL29929897 0.73 USP30 (0.38) USP30
SCHEMBL24744896 0.72 KDM4E (0.36) ATR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230348398-A1 Benzimidazole derivatives HOFFMANN-LA ROCHE INC. (US) 2023-11-02 US disclosed
EP-4136077-A1 BENZIMIDAZOLE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2023-02-22 EP disclosed
CN-115485266-A Benzimidazole derivatives 豪夫迈·罗氏有限公司 2022-12-16 CN disclosed
WO-2021209484-A1 BENZIMIDAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2021-10-21 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 (1 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-20230348398-A1 Benzimidazole derivatives HRH4, H1-4, CYP3A4 ATR 2728/4885OPRK1 905/4885EED 3972/4885

“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.