SCHEMBL5690769

SCHEMBL5690769

C[C@H](CC(=O)O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.53
KMT2A Q03164 4/20 0.50
MEN1 O00255 3/20 0.50
ALDH1A1 P00352 6/20 0.49
NPC1 O15118 1/20 0.49
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C19 P33261 1/20 0.48
LMNA P02545 4/20 0.48
MAPT P10636 4/20 0.48
GAA P10253 1/20 0.48
HTT P42858 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
TDP1 Q9NUW8 1/20 0.47
KDM4E B2RXH2 3/20 0.46
MAPK1 P28482 1/20 0.46
KCNJ1 P48048 1/20 0.46
KCNH2 Q12809 1/20 0.46
USP2 O75604 1/20 0.45

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
SCHEMBL3714135 1.00 FFAR1 (0.53) FFAR1KMT2AMEN1ALDH1A1NPC1
SCHEMBL27725933 0.84 MAPT (0.53) KMT2AMEN1ALDH1A1NPC1CYP1A2
SCHEMBL6474872 0.84 KMT2A (0.56) KMT2AMEN1ALDH1A1NPC1CYP2C19
SCHEMBL9871987 0.83 ALDH1A1 (0.47) KMT2AMEN1ALDH1A1NPC1LMNA
SCHEMBL1857061 0.82 FNTA (0.58) KMT2AMEN1ALDH1A1NPC1CYP1A2
SCHEMBL4710743 0.82 GAA (0.52) KMT2AMEN1ALDH1A1NPC1CYP1A2
SCHEMBL16503535 0.81 MAPT (0.54) KMT2AMEN1ALDH1A1NPC1CYP1A2
SCHEMBL27572042 0.81 MMP14 (0.47) KMT2AMEN1ALDH1A1NPC1CYP2C19
SCHEMBL21200270 0.81 MEN1 (0.57) FFAR1KMT2AMEN1ALDH1A1CYP1A2
SCHEMBL1101028 0.81 MEN1 (0.57) FFAR1KMT2AMEN1ALDH1A1CYP1A2

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
EP-1153017-B1 BICYCLIC COMPOUNDS AND THEIR USE AS INTEGRIN RECEPTOR LIGANDS AVENTIS PHARMA LTD (GB) 2006-05-03 EP disclosed
US-6593354-B2 Amide substituted benzimidazole or benzoxazole; regulating the interaction of vascular cell adhesion molecule-1 and fibronectin with the integrin vascular cell adhesion molecule very late antigen-4 AVENTIS PHARMA LIMITED (GB) 2003-07-15 US disclosed
US-20020137782-A1 Substituted bicyclic compounds AVENTIS PHARMA LIMITED (GB) 2002-09-26 US disclosed
EP-1153017-A1 BICYCLIC COMPOUNDS AND THEIR USE AS INTEGRIN RECEPTOR LIGANDS Aventis Pharma Limited (GB) 2001-11-14 EP disclosed
WO-2000049005-A1 BICYCLIC COMPOUNDS AND THEIR USE AS INTEGRIN RECEPTOR LIGANDS AVENTIS PHARMA LIMITED (GB) 2000-08-24 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-20020137782-A1 Substituted bicyclic compounds ITGA1, VCAM1, ITGB1 FFAR1 175/4885KMT2A 1572/4885MEN1 3657/4885

“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.