SCHEMBL9671404

SCHEMBL9671404

C#CCOc1ccc(N)c([N+](=O)[O-])c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SNCA P37840 1/20 0.51
▸ MAPT P10636 4/20 0.50
▸ ALDH1A1 P00352 3/20 0.50
▸ LMNA P02545 2/20 0.50
▸ TDP1 Q9NUW8 3/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ POLB P06746 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ CYP3A4 P08684 1/20 0.49
▸ ALOX15 P16050 1/20 0.49
▸ CA12 O43570 3/20 0.46
▸ CA4 P22748 3/20 0.46
▸ CA9 Q16790 3/20 0.46
▸ CA1 P00915 2/20 0.46
▸ CA2 P00918 1/20 0.46
▸ CA7 P43166 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ MAOB P27338 3/20 0.43
▸ MAOA P21397 2/20 0.43
▸ ACHE P22303 1/20 0.43

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
SCHEMBL29848505 1.00 SNCA (0.51) SNCAMAPTALDH1A1LMNATDP1
SCHEMBL20982602 0.88 MAPT (0.66) SNCAMAPTALDH1A1LMNATDP1
SCHEMBL11209297 0.82 MAPT (0.57) MAPTALDH1A1LMNATDP1MEN1
SCHEMBL11420051 0.82 MAPT (0.62) MAPTALDH1A1LMNATDP1MEN1
SCHEMBL21177279 0.82 SNCA (0.48) SNCAMAPTALDH1A1LMNATDP1
SCHEMBL11548169 0.81 MAPT (0.60) MAPTALDH1A1LMNATDP1MEN1
SCHEMBL11545117 0.81 MAPT (0.60) MAPTALDH1A1LMNATDP1MEN1
SCHEMBL11549858 0.80 MAPT (0.59) MAPTALDH1A1LMNATDP1MEN1
SCHEMBL11545962 0.80 MAPT (0.59) MAPTALDH1A1LMNATDP1MEN1
SCHEMBL6325046 0.80 MAPT (0.54) MAPTALDH1A1LMNATDP1MEN1

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-11439640-B2 Pharmaceutical composition comprising substance inhibiting enzymatic activity of peroxiredoxin 2 as effective ingredient for treatment of colorectal cancer EWHA University—Industry Collaboration Foundation (KR) 2022-09-13 — — US disclosed
US-20200129508-A1 PHARMACEUTICAL COMPOSITION COMPRISING SUBSTANCE INHIBITING ENZYMATIC ACTIVITY OF PEROXIREDOXIN 2 AS EFFECTIVE INGREDIENT FOR TREATMENT OF COLORECTAL CANCER EWHA UNIVERSITY - INDUSTRY COLLABORATION FOUNDATION (KR) 2020-04-30 — — US disclosed
US-20200129508-A1 PHARMACEUTICAL COMPOSITION COMPRISING SUBSTANCE INHIBITING ENZYMATIC ACTIVITY OF PEROXIREDOXIN 2 AS EFFECTIVE INGREDIENT FOR TREATMENT OF COLORECTAL CANCER EWHA UNIVERSITY - INDUSTRY COLLABORATION FOUNDATION (KR) 2020-04-30 — — US disclosed
EP-0509717-A2 New herbicidal compositions RHONE POULENC AGRICULTURE LTD. (GB) 1992-10-21 — — EP 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 (2 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-20200129508-A1 PHARMACEUTICAL COMPOSITION COMPRISING SUBSTANCE INHIBITING ENZYMATIC ACTIVITY OF PEROXIREDOXIN 2 AS EFFECTIVE INGREDIENT FOR TREATMENT OF COLORECTAL CANCER TNKS, TNKS2, PRDX2 SNCA 3420/4885MAPT 3941/4885ALDH1A1 4147/4885
US-11439640-B2 Pharmaceutical composition comprising substance inhibiting enzymatic activity of peroxiredoxin 2 as effective ingredient for treatment of colorectal cancer TNKS, TNKS2, PRDX2 SNCA 3420/4885MAPT 3941/4885ALDH1A1 4147/4885

“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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