SCHEMBL6166275

SCHEMBL6166275

O=C(O)/C=C/Cc1ccc([N+](=O)[O-])cn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.43
GAA P10253 2/20 0.42
CYP1A2 P05177 1/20 0.42
MAPT P10636 3/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
ALDH1A1 P00352 3/20 0.40
CYP2C19 P33261 2/20 0.40
POLB P06746 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ADRA2A P08913 2/20 0.40
ADRA2B P18089 2/20 0.40
ADRA2C P18825 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PKM P14618 1/20 0.39
LMNA P02545 1/20 0.39
KDM6B O15054 1/20 0.39
FTO Q9C0B1 1/20 0.39
EGLN1 Q9GZT9 1/20 0.39

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
SCHEMBL6166283 1.00 SLC2A1 (0.43) SLC2A1GAACYP1A2MAPTMEN1
SCHEMBL20337186 0.78 SLC2A1 (0.59) SLC2A1GAACYP1A2MAPTMEN1
SCHEMBL3573374 0.78 SLC2A1 (0.46) SLC2A1GAACYP1A2MAPTMEN1
SCHEMBL7075509 0.78 CYP2C19 (0.48) SLC2A1GAACYP1A2MAPTMEN1
SCHEMBL27953665 0.76 SLC2A1 (0.45) SLC2A1GAACYP1A2MAPTMEN1
SCHEMBL2728868 0.76 CYP1A2 (0.49) SLC2A1GAACYP1A2MAPTMEN1
SCHEMBL2728866 0.76 CYP1A2 (0.49) SLC2A1GAACYP1A2MAPTMEN1
SCHEMBL1126175 0.74 ADRA2A (0.49) SLC2A1GAACYP1A2MAPTMEN1
SCHEMBL9657467 0.74 FFAR1 (0.50) SLC2A1GAACYP1A2MAPTMEN1
SCHEMBL19089740 0.72 ADRA2A (0.55) SLC2A1GAACYP1A2MAPTMEN1

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-1183254-B1 SUBSTITUTED BICYCLIC HETEROARYL COMPOUNDS AS INTEGRIN ANTAGONISTS AVENTIS PHARMA LTD (GB) 2005-01-12 EP disclosed
US-6706738-B2 ANTIARTHRITIC AGENTS; ANTIINFLAMMATORY AGENTS AVENTIS PHARMA LIMITED (GB) 2004-03-16 US disclosed
US-20020173506-A1 Substituted bicyclic heteroaryl compounds and their use as integrin antagonists AVENTIS PHARMA LIMITED (GB) 2002-11-21 US disclosed
EP-1183254-A1 SUBSTITUTED BICYCLIC HETEROARYL COMPOUNDS AS INTEGRIN ANTAGONISTS Aventis Pharma Limited (GB) 2002-03-06 EP disclosed
WO-2000061580-A1 SUBSTITUTED BICYCLIC HETEROARYL COMPOUNDS AS INTEGRIN ANTAGONISTS AVENTIS PHARMA LIMITED (GB) 2000-10-19 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-20020173506-A1 Substituted bicyclic heteroaryl compounds and their use as integrin antagonists VCAM1, ITGA4, ITGA1 SLC2A1 1087/4885GAA 4378/4885CYP1A2 746/4885

“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.