SCHEMBL1925077

SCHEMBL1925077

O=Cc1ccc(NC2CCCCC2)c([N+](=O)[O-])c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 3/20 0.61
ALDH1A1 P00352 6/20 0.58
MAPT P10636 6/20 0.58
LMNA P02545 5/20 0.58
L3MBTL1 Q9Y468 3/20 0.58
HPGD P15428 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
NPSR1 Q6W5P4 1/20 0.58
WNK1 Q9H4A3 2/20 0.57
MAPK1 P28482 2/20 0.57
MEN1 O00255 5/20 0.57
KMT2A Q03164 5/20 0.57
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2D6 P10635 1/20 0.57
CYP2C19 P33261 1/20 0.57
GPR55 Q9Y2T6 1/20 0.53
POLB P06746 1/20 0.50
CRHBP P24387 1/20 0.50
CRHR2 Q13324 1/20 0.50

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
SCHEMBL8607686 0.81 MAPT (0.69) HCAR3ALDH1A1MAPTLMNAL3MBTL1
SCHEMBL23786250 0.81 MAPT (0.69) HCAR3ALDH1A1MAPTLMNAL3MBTL1
SCHEMBL15575850 0.81 MAPT (0.48) HCAR3ALDH1A1MAPTLMNAL3MBTL1
SCHEMBL13500566 0.80 HCAR3 (0.64) HCAR3ALDH1A1MAPTLMNAL3MBTL1
SCHEMBL6138625 0.80 HCAR3 (0.64) HCAR3ALDH1A1MAPTLMNAL3MBTL1
SCHEMBL7541568 0.80 HCAR3 (0.64) HCAR3ALDH1A1MAPTLMNAL3MBTL1
SCHEMBL9395556 0.80 HCAR3 (0.64) HCAR3ALDH1A1MAPTLMNAL3MBTL1
SCHEMBL13914705 0.80 HCAR3 (0.64) HCAR3ALDH1A1MAPTLMNAL3MBTL1
SCHEMBL6138632 0.80 HCAR3 (0.64) HCAR3ALDH1A1MAPTLMNAL3MBTL1
SCHEMBL16538351 0.80 HCAR3 (0.64) HCAR3ALDH1A1MAPTLMNAL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 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-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-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-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-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
EP-1434579-A1 IMIDAZOLE DERIVATIVES AS ANTIINFLAMMATORY AGENTS Tularik Inc. (US) 2004-07-07 EP disclosed
US-20030144286-A1 Benzimidazole derivatives TULARIK, INC 2003-07-31 US disclosed
WO-2003030902-A1 IMIDAZOLE DERIVATES AS ANTI-INFLAMMATORY AGENTS TULARIK INC. (US) 2003-04-17 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 (3 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-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 1607/4885ALDH1A1 3628/4885MAPT 2419/4885
US-20030144286-A1 Benzimidazole derivatives NFATC1, STAT1, IRF3 HCAR3 1985/4885ALDH1A1 1869/4885MAPT 2784/4885
US-20100048565-A1 BENZIMIDAZOLE DERIVATIVES NFATC1, STAT1, IRF3 HCAR3 1985/4885ALDH1A1 1869/4885MAPT 2784/4885

“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.