SCHEMBL12374635

SCHEMBL12374635

COC(=O)c1ccc(Nc2ccc(C)cc2)c([N+](=O)[O-])c1

nearest known ligand 0.74

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.74
MAPT P10636 6/20 0.64
KMT2A Q03164 5/20 0.61
MEN1 O00255 3/20 0.61
AKR1C3 P42330 2/20 0.60
AKR1C2 P52895 2/20 0.60
SMN1; SMN2 Q16637 2/20 0.59
HTT P42858 1/20 0.59
HCAR3 P49019 1/20 0.58
MAPK1 P28482 1/20 0.57
HPGD P15428 2/20 0.57
ALDH1A1 P00352 1/20 0.57
ATM Q13315 1/20 0.57
GAA P10253 1/20 0.57
AKR1C4 P17516 1/20 0.54
AKR1C1 Q04828 1/20 0.54

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
SCHEMBL7153117 0.90 MAPT (0.64) LMNAMAPTKMT2AMEN1AKR1C3
SCHEMBL30441386 0.90 MAPT (0.64) LMNAMAPTKMT2AMEN1AKR1C3
SCHEMBL23675133 0.88 MAPT (0.81) LMNAMAPTKMT2AMEN1AKR1C3
SCHEMBL145023 0.88 MAPT (0.62) LMNAMAPTKMT2AMEN1AKR1C3
SCHEMBL12089421 0.88 HCAR3 (0.75) LMNAMAPTKMT2AMEN1AKR1C3
SCHEMBL26931842 0.86 KMT2A (0.80) LMNAMAPTKMT2AMEN1AKR1C3
SCHEMBL15021452 0.86 MAPT (0.63) LMNAMAPTKMT2AMEN1AKR1C3
SCHEMBL25250478 0.85 MAPT (0.59) LMNAMAPTKMT2AMEN1AKR1C3
SCHEMBL2277928 0.84 MAPT (0.64) LMNAMAPTKMT2AMEN1AKR1C3
SCHEMBL7153363 0.82 MAPT (0.58) LMNAMAPTKMT2AMEN1AKR1C3

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
WO-2023236820-A1 AROMATIC SIX-MEMBERED RING-FUSED IMIDAZOLE DERIVATIVE, AND PREPARATION METHOD THEREFOR AND USE THEREOF 沈阳药科大学 2023-12-14 WO disclosed
CN-116120239-A Aromatic six-membered cycloimidazole derivative, and preparation method and application thereof 沈阳药科大学 2023-05-16 CN disclosed
CN-114853680-A Aromatic six-membered ring imidazole derivative and preparation method and application thereof 沈阳药科大学 2022-08-05 CN disclosed
US-8470819-B2 Benzimidazole and aza-benzimidazole carboxamides MERCK SHARP & DOHME CORP. (US) 2013-06-25 US disclosed
US-20110207750-A1 BENZIMIDAZOLE AND AZA-BENZIMIDAZOLE CARBOXAMIDES MERCK SHARP & DOHME LLC 2011-08-25 US 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-20110207750-A1 BENZIMIDAZOLE AND AZA-BENZIMIDAZOLE CARBOXAMIDES PAFAH1B3, PAFAH1B2, PAF1 LMNA 1869/4885MAPT 4800/4885KMT2A 841/4885

“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.