SCHEMBL15054582

SCHEMBL15054582

O=C(O)c1cc(N2CCOCC2)ncc1[N+](=O)[O-]

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.66
CYP1A2 P05177 3/20 0.66
CYP2C9 P11712 3/20 0.66
ALDH1A1 P00352 3/20 0.66
CYP2C19 P33261 1/20 0.66
HPGD P15428 1/20 0.52
KMO O15229 1/20 0.50
KDM4E B2RXH2 1/20 0.49
PIK3CA P42336 1/20 0.49
PKM P14618 2/20 0.48
POLB P06746 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
AKT1 P31749 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL26087840 0.88 MAPT (0.64) MAPTCYP1A2CYP2C9ALDH1A1CYP2C19
SCHEMBL15012807 0.86 ALDH1A1 (0.52) MAPTCYP1A2CYP2C9ALDH1A1CYP2C19
SCHEMBL25771498 0.82 KMO (0.59) MAPTCYP1A2CYP2C9ALDH1A1CYP2C19
SCHEMBL22652046 0.80 ALDH1A1 (1.00) MAPTCYP1A2CYP2C9ALDH1A1CYP2C19
SCHEMBL15543926 0.80 MAPT (0.71) MAPTCYP1A2CYP2C9ALDH1A1CYP2C19
SCHEMBL5338609 0.78 KMO (0.55) MAPTCYP1A2CYP2C9ALDH1A1CYP2C19
SCHEMBL780203 0.78 MAPT (0.58) MAPTCYP1A2CYP2C9ALDH1A1CYP2C19
SCHEMBL28153041 0.77 KDM4E (0.61) MAPTCYP1A2CYP2C9ALDH1A1CYP2C19
SCHEMBL22090007 0.77 MAPT (0.67) MAPTCYP1A2CYP2C9ALDH1A1CYP2C19
SCHEMBL20598470 0.76 MAPT (0.66) MAPTCYP1A2CYP2C9ALDH1A1CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8906910-B2 Imidazopyridine derivatives as PI3 kinase GLAXOSMITHKLINE LLC (US) 2014-12-09 US disclosed
US-8906910-B2 Imidazopyridine derivatives as PI3 kinase GLAXOSMITHKLINE LLC (US) 2014-12-09 US disclosed
US-8906910-B2 Imidazopyridine derivatives as PI3 kinase GLAXOSMITHKLINE LLC (US) 2014-12-09 US disclosed
US-20140323480-A1 Imidazopyridine Derivatives As PI3 Kinase Glaxo Smith Kline LLC a corporation 2014-10-30 US disclosed
US-20140323480-A1 Imidazopyridine Derivatives As PI3 Kinase Glaxo Smith Kline LLC a corporation 2014-10-30 US disclosed
US-20140323480-A1 Imidazopyridine Derivatives As PI3 Kinase Glaxo Smith Kline LLC a corporation 2014-10-30 US disclosed
WO-2013095761-A1 IMIDAZOPYRIDINE DERIVATIVES AS PI3 KINASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2013-06-27 WO disclosed
WO-2013095761-A1 IMIDAZOPYRIDINE DERIVATIVES AS PI3 KINASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2013-06-27 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-20140323480-A1 Imidazopyridine Derivatives As PI3 Kinase PIK3CD, PI4KA, PIK3CG MAPT 4080/4885CYP1A2 2224/4885CYP2C9 1989/4885

“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.