SCHEMBL4404789

SCHEMBL4404789

O=C(CCc1ccc([N+](=O)[O-])cc1)N1CCC1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.65
SMN1; SMN2 Q16637 3/20 0.65
MAPT P10636 3/20 0.65
L3MBTL1 Q9Y468 2/20 0.65
NPSR1 Q6W5P4 3/20 0.64
LMNA P02545 2/20 0.64
HPGD P15428 2/20 0.64
HTT P42858 2/20 0.64
KMT2A Q03164 2/20 0.64
MEN1 O00255 1/20 0.64
POLB P06746 1/20 0.64
MAPK1 P28482 1/20 0.64
KCNJ1 P48048 2/20 0.60
KCNH2 Q12809 2/20 0.60
NPC1 O15118 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
NAAA Q02083 1/20 0.57
CYP2C19 P33261 1/20 0.57
HRH3 Q9Y5N1 1/20 0.56
RECQL P46063 1/20 0.55

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
SCHEMBL30484396 0.97 ALDH1A1 (0.68) ALDH1A1SMN1; SMN2MAPTL3MBTL1NPSR1
SCHEMBL4999081 0.88 ALDH1A1 (0.66) ALDH1A1SMN1; SMN2MAPTL3MBTL1NPSR1
SCHEMBL9556986 0.84 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2MAPTL3MBTL1NPSR1
SCHEMBL1876940 0.83 RECQL (0.72) ALDH1A1SMN1; SMN2MAPTLMNAHPGD
SCHEMBL15611152 0.82 MAPT (0.90) ALDH1A1SMN1; SMN2MAPTL3MBTL1NPSR1
SCHEMBL2384676 0.81 RECQL (0.70) ALDH1A1SMN1; SMN2MAPTL3MBTL1NPSR1
SCHEMBL4994038 0.80 ALDH1A1 (0.67) ALDH1A1SMN1; SMN2MAPTL3MBTL1NPSR1
SCHEMBL15987432 0.80 ALDH1A1 (0.66) ALDH1A1SMN1; SMN2MAPTL3MBTL1NPSR1
SCHEMBL6287119 0.79 ALDH1A1 (0.62) ALDH1A1SMN1; SMN2MAPTL3MBTL1NPSR1
SCHEMBL3455917 0.79 MAPT (1.00) ALDH1A1SMN1; SMN2MAPTL3MBTL1NPSR1

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-8722622-B2 FGF21 conjugates and anti-diabetic uses thereof COVX TECHNOLOGIES IRELAND, LIMITED (IE) 2014-05-13 US disclosed
US-8722622-B2 FGF21 conjugates and anti-diabetic uses thereof COVX TECHNOLOGIES IRELAND, LIMITED (IE) 2014-05-13 US disclosed
US-20120282279-A1 Anti-Diabetic Compounds COVX TECHNOLOGIES IRELAND LIMITED (IE) 2012-11-08 US disclosed
US-20120282279-A1 Anti-Diabetic Compounds COVX TECHNOLOGIES IRELAND LIMITED (IE) 2012-11-08 US disclosed
WO-2012059873-A2 ANTI-DIABETIC COMPOUNDS COVX TECHNOLOGIES IRELAND, LTD. (IE) 2012-05-10 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-20120282279-A1 Anti-Diabetic Compounds GLP1R, FGF2, FGFR1 ALDH1A1 1416/4885SMN1; SMN2 3869/4885MAPT 3156/4885

“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.