Sugi Predict

Sugi Predict / Compounds / SCHEMBL25927673

SCHEMBL25927673

SCHEMBL25927673

Cc1ccc(NC[C@H]2CN(C(=O)OC(C)(C)C)CCO2)c([N+](=O)[O-])c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 8/20 0.46
▸ HCAR3 P49019 1/20 0.46
▸ KMT2A Q03164 5/20 0.45
▸ ALDH1A1 P00352 6/20 0.44
▸ CYP1A2 P05177 2/20 0.44
▸ CYP2C9 P11712 2/20 0.44
▸ CYP2C19 P33261 2/20 0.44
▸ MEN1 O00255 4/20 0.44
▸ MAPK1 P28482 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ POLB P06746 2/20 0.43
▸ TP53 P04637 1/20 0.43
▸ NPC1 O15118 3/20 0.41
▸ RAB9A P51151 3/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ EPHA2 P29317 2/20 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
SCHEMBL29398097 0.94 HCAR3 (0.44) MAPTHCAR3KMT2AALDH1A1CYP1A2
SCHEMBL25927875 0.90 EPHA2 (0.46) MAPTHCAR3KMT2AALDH1A1CYP1A2
SCHEMBL19940351 0.88 KMT2A (0.44) MAPTHCAR3KMT2AALDH1A1CYP1A2
SCHEMBL30921509 0.88 KMT2A (0.49) MAPTHCAR3KMT2AALDH1A1CYP1A2
SCHEMBL1810816 0.88 KMT2A (0.49) MAPTHCAR3KMT2AALDH1A1CYP1A2
SCHEMBL1699990 0.88 KMT2A (0.49) MAPTHCAR3KMT2AALDH1A1CYP1A2
SCHEMBL1700181 0.88 KMT2A (0.49) MAPTHCAR3KMT2AALDH1A1CYP1A2
SCHEMBL31525092 0.88 KMT2A (0.49) MAPTHCAR3KMT2AALDH1A1CYP1A2
SCHEMBL28667950 0.87 MAPT (0.43) MAPTHCAR3KMT2AALDH1A1CYP1A2
SCHEMBL25222291 0.87 HCAR3 (0.53) MAPTHCAR3KMT2AALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230250095-A1 BENZIMIDAZOLE DERIVATIVES, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF TUOJIE BIOTECH(SHANGHAI) CO., LTD. (CN) 2023-08-10 — — US disclosed
US-20230250095-A1 BENZIMIDAZOLE DERIVATIVES, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF TUOJIE BIOTECH(SHANGHAI) CO., LTD. (CN) 2023-08-10 — — US disclosed
EP-4198034-A1 BENZIMIDAZOLE DERIVATIVES, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF Tuojie Biotech (Shanghai) Co., Ltd. (CN) 2023-06-21 — — EP disclosed
WO-2022117062-A1 FUSED TRICYCLIC RING-CONTAINING COMPOUNDS AND PHARMACEUTICAL USE THEREOF 上海拓界生物医药科技有限公司 2022-06-09 — — WO disclosed
WO-2022033567-A1 BENZIMIDAZOLE DERIVATIVES, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF 上海拓界生物医药科技有限公司 2022-02-17 — — 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-20230250095-A1 BENZIMIDAZOLE DERIVATIVES, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF P2RX7, P2RX3, P2RX5 MAPT 4728/4885HCAR3 1493/4885KMT2A 4307/4885

“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.