SCHEMBL23123661

SCHEMBL23123661

C[Si](C)(C)CCOCn1cnc2c([N+](=O)[O-])cccc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.38
▸ NPC1 O15118 5/20 0.38
▸ RAB9A P51151 5/20 0.38
▸ SMN1; SMN2 Q16637 4/20 0.38
▸ KDM4E B2RXH2 4/20 0.38
▸ PKM P14618 2/20 0.38
▸ STAT1 P42224 1/20 0.38
▸ DCTPP1 Q9H773 1/20 0.37
▸ PDE10A Q9Y233 1/20 0.36
▸ HTT P42858 1/20 0.35
▸ LMNA P02545 2/20 0.35
▸ BRD4 O60885 3/20 0.35
▸ RECQL P46063 1/20 0.35
▸ MEN1 O00255 3/20 0.34
▸ KMT2A Q03164 3/20 0.34
▸ CYP1A2 P05177 2/20 0.34
▸ CYP2C19 P33261 2/20 0.34
▸ POLB P06746 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ HPGD P15428 1/20 0.34

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
SCHEMBL15122465 0.82 FGFR1 (0.48) ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL9952885 0.81 DGAT1 (0.33) ALDH1A1SMN1; SMN2PKMHTTBRD4
SCHEMBL5951884 0.80 DGAT1 (0.38) ALDH1A1NPC1SMN1; SMN2PDE10AHTT
SCHEMBL4069249 0.79 SMN1; SMN2 (0.35) NPC1SMN1; SMN2PDE10AHTTLMNA
SCHEMBL21458046 0.79 DGAT1 (0.37) ALDH1A1NPC1SMN1; SMN2LMNABRD4
SCHEMBL23122502 0.79 ADA (0.36) NPC1SMN1; SMN2LMNABRD4RECQL
SCHEMBL15825447 0.79 DGAT1 (0.40) NPC1RAB9ASMN1; SMN2PDE10AHTT
SCHEMBL15826054 0.78 PDE10A (0.44) ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL29117073 0.78 BRD4 (0.39) NPC1SMN1; SMN2PDE10ALMNABRD4
SCHEMBL23123000 0.77 NPC1 (0.35) NPC1SMN1; SMN2PDE10ALMNABRD4

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-20220380319-A1 SUBSTITUTED BENZIMIDAZOLE CARBOXAMIDES AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS BIAL R&D INVEST S A (PT) 2022-12-01 — — US disclosed
EP-4031532-A1 SUBSTITUTED BENZIMIDAZOLE CARBOXAMIDES AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS Bial-R&D Investments, S.A. (PT) 2022-07-27 — — EP disclosed
CN-114787136-A Substituted benzimidazole carboxamides and their use in the treatment of medical disorders 比亚尔R&D投资股份公司 2022-07-22 — — CN disclosed
WO-2021055591-A1 SUBSTITUTED BENZIMIDAZOLE CARBOXAMIDES AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS BIAL-BioTech Investments, Inc. (US) 2021-03-25 — — 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-20220380319-A1 SUBSTITUTED BENZIMIDAZOLE CARBOXAMIDES AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS GAA, GBA1, CLN6 ALDH1A1 1096/4885NPC1 63/4885RAB9A 1838/4885

“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.

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