SCHEMBL3464576

SCHEMBL3464576

COc1ccc(Br)nc1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 4/20 0.43
ERN1 O75460 1/20 0.39
ALDH1A1 P00352 3/20 0.37
TP53 P04637 2/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
TSHR P16473 1/20 0.37
ALOX5 P09917 1/20 0.36
PTGS2 P35354 1/20 0.36
KDM4E B2RXH2 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
APP P05067 1/20 0.36
AMY1A P0DUB6 2/20 0.36
ALOX15 P16050 2/20 0.35
ALOX12 P18054 2/20 0.35
MAPT P10636 2/20 0.35
LMNA P02545 1/20 0.35
CYP3A4 P08684 1/20 0.35
HPGD P15428 1/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL2144116 0.77 S1PR4 (0.43) NQO2ALDH1A1CA1CA2KDM4E
SCHEMBL29769759 0.77 S1PR4 (0.43) NQO2ALDH1A1CA1CA2KDM4E
SCHEMBL14971502 0.76 NQO2 (0.40) NQO2ALDH1A1CA1CA2KDM4E
SCHEMBL4573187 0.76 KDM4E (0.50) NQO2ALDH1A1CA1CA2TSHR
SCHEMBL6608419 0.76 NQO2 (0.43) NQO2ALDH1A1TP53CA1CA2
SCHEMBL4979392 0.75 PDE4A (0.39) NQO2ERN1ALDH1A1KDM4EL3MBTL1
SCHEMBL5696517 0.74 ALDH1A1 (0.41) NQO2ALDH1A1KDM4EL3MBTL1APP
SCHEMBL31556399 0.74 NQO2 (0.39) NQO2ALDH1A1CA1CA2TSHR
SCHEMBL5455137 0.74 NQO2 (0.39) NQO2ALDH1A1CA1CA2TSHR
SCHEMBL29844693 0.74 TLR8 (0.44) NQO2ALDH1A1KDM4EL3MBTL1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8071651-B2 5-amino-4-hydroxy-7-(imidazo [1,2-A] pyridin-6-ylmethyl)-8-methyl-nonamide derivatives and related compounds as renin inhibitors for the treatment of hypertension NOVARTIS AG (CH) 2011-12-06 US disclosed
CN-101268074-B 5-amino-4-hydroxy-7- (imidazo [1,2-A] pyridin-6- ylmethyl)-8-methyl-nonamide derivatives and related compounds as renin inhibitors for the treatment of hypertension SPEEDEL EXPERIMENTA AG 2011-09-21 CN disclosed
US-20100063087-A1 5-Amino-4-Hydroxy-7-(Imidazo [1,2-A] Pyridin-6-Ylmethyl)-8-Methyl-Nonamide Derivatives and Related Compounds as Renin Inhibitors for the Treatment of Hypertension SPEEDEL EXPERIMENTA AG (CH) 2010-03-11 US disclosed
EP-1948654-B1 5-AMINO-4-HYDROXY-7- (IMIDAZO [1,2-A] PYRIDIN-6- YLMETHYL)-8-METHYL-NONAMIDE DERIVATIVES AND RELATED COMPOUNDS AS RENIN INHIBITORS FOR THE TREATMENT OF HYPERTENSION NOVARTIS AG (CH) 2009-06-24 EP disclosed
CN-101268074-A 5-amino-4-hydroxy-7- (imidazo [1,2-A] pyridin-6- ylmethyl)-8-methyl-nonamide derivatives and related compounds as renin inhibitors for the treatment of hypertension SPEEDEL EXPERIMENTA AG (CH) 2008-09-17 CN disclosed
EP-1948654-A1 5-AMINO-4-HYDROXY-7- (IMIDAZO [1,2-A] PYRIDIN-6- YLMETHYL)-8-METHYL-NONAMIDE DERIVATIVES AND RELATED COMPOUNDS AS RENIN INHIBITORS FOR THE TREATMENT OF HYPERTENSION Speedel Experimenta AG (CH) 2008-07-30 EP disclosed
WO-2007031558-A1 5-AMINO-4-HYDROXY-7- (IMIDAZO [1,2-A] PYRIDIN-6- YLMETHYL)-8-METHYL-NONAMIDE DERIVATIVES AND RELATED COMPOUNDS AS RENIN INHIBITORS FOR THE TREATMENT OF HYPERTENSION SPEEDEL EXPERIMENTA AG (CH) 2007-03-22 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-20100063087-A1 5-Amino-4-Hydroxy-7-(Imidazo [1,2-A] Pyridin-6-Ylmethyl)-8-Methyl-Nonamide Derivatives and Related Compounds as Renin Inhibitors for the Treatment of Hypertension REN, AGTR1, AGTR2 NQO2 259/4885ERN1 2319/4885ALDH1A1 1815/4885

“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.