SCHEMBL1925313

SCHEMBL1925313

CCOC(=O)[C@H]1CC[C@@H](Nc2ccc(F)cc2[N+](=O)[O-])CC1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 3/20 0.52
MAPT P10636 9/20 0.49
ALDH1A1 P00352 5/20 0.48
LMNA P02545 1/20 0.48
POLB P06746 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
VCAM1 P19320 1/20 0.45
HPGD P15428 1/20 0.45
TP53 P04637 1/20 0.45
HTT P42858 1/20 0.45
TDP1 Q9NUW8 2/20 0.45
MAPK1 P28482 2/20 0.45
KMT2A Q03164 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KDM4E B2RXH2 1/20 0.42

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
SCHEMBL1925316 1.00 HCAR3 (0.52) HCAR3MAPTALDH1A1LMNAPOLB
SCHEMBL13594578 0.85 ALDH1A1 (0.51) MAPTALDH1A1LMNAPOLBSMN1; SMN2
SCHEMBL4716807 0.84 MAPT (0.67) HCAR3MAPTALDH1A1LMNAPOLB
SCHEMBL20985280 0.83 HCAR3 (0.64) HCAR3MAPTALDH1A1LMNASMN1; SMN2
SCHEMBL20985278 0.83 HCAR3 (0.64) HCAR3MAPTALDH1A1LMNASMN1; SMN2
SCHEMBL931990 0.82 HCAR3 (0.64) HCAR3MAPTALDH1A1LMNASMN1; SMN2
SCHEMBL1924879 0.82 ALOX15 (0.55) MAPTALDH1A1POLBSMN1; SMN2HPGD
SCHEMBL1924881 0.82 ALOX15 (0.55) MAPTALDH1A1POLBSMN1; SMN2HPGD
SCHEMBL2143238 0.82 ALDH1A1 (0.48) MAPTALDH1A1POLBSMN1; SMN2HPGD
SCHEMBL21025998 0.80 ALDH1A1 (0.49) MAPTALDH1A1LMNAPOLBSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12036209-B2 Compounds and methods for the targeted degradation of Interleukin-1 receptor-associated kinase 4 polypeptides ARVINAS OPERATIONS, INC. (US) 2024-07-16 US disclosed
US-11065231-B2 Compounds and methods for the targeted degradation of interleukin-1 receptor- associated kinase 4 polypeptides ARVINAS OPERATIONS, INC. (US) 2021-07-20 US disclosed
US-20190151295-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF INTERLEUKIN-1 RECEPTOR-ASSOCIATED KINASE 4 POLYPEPTIDES ARVINAS OPERATIONS, INC. 2019-05-23 US disclosed
EP-1434579-B1 IMIDAZOLE DERIVATIVES AS ANTIINFLAMMATORY AGENTS AMGEN INC (US) 2011-06-08 EP disclosed
US-20100048565-A1 BENZIMIDAZOLE DERIVATIVES FRENKEL ALEXANDER DAVID 2010-02-25 US disclosed
US-7635774-B2 2-Amino-imidazole derivatives; modulate the expression and/or function of proteins involved in inflammation, immune response regulation and cell proliferation AMGEN INC. (US) 2009-12-22 US disclosed
US-20070037803-A1 2-Amino-imidazole derivatives; modulate the expression and/or function of proteins involved in inflammation, immune response regulation and cell proliferation AMGEN SF, LLC (US) 2007-02-15 US disclosed
US-7132438-B2 Benzimidazole derivatives AMGEN INC. (US) 2006-11-07 US disclosed
US-20030144286-A1 Benzimidazole derivatives TULARIK, INC 2003-07-31 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 (6 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-20190151295-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF INTERLEUKIN-1 RECEPTOR-ASSOCIATED KINASE 4 POLYPEPTIDES IRAK1, IRAK4, IRAK2 HCAR3 2265/4885MAPT 1386/4885ALDH1A1 2896/4885
US-20070037803-A1 2-Amino-imidazole derivatives; modulate the expression and/or function of proteins involved in inflammation, immune response regulation and cell proliferation IDO2, IRF2BP2, IRF3 HCAR3 1607/4885MAPT 2419/4885ALDH1A1 3628/4885
US-12036209-B2 Compounds and methods for the targeted degradation of Interleukin-1 receptor-associated kinase 4 polypeptides IRAK1, IRAK4, IRAK2 HCAR3 2603/4885MAPT 1544/4885ALDH1A1 2211/4885
US-11065231-B2 Compounds and methods for the targeted degradation of interleukin-1 receptor- associated kinase 4 polypeptides IRAK1, IRAK4, IRAK2 HCAR3 2265/4885MAPT 1386/4885ALDH1A1 2896/4885
US-20030144286-A1 Benzimidazole derivatives NFATC1, STAT1, IRF3 HCAR3 1985/4885MAPT 2784/4885ALDH1A1 1869/4885
US-20100048565-A1 BENZIMIDAZOLE DERIVATIVES NFATC1, STAT1, IRF3 HCAR3 1985/4885MAPT 2784/4885ALDH1A1 1869/4885

“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.