SCHEMBL3465631

SCHEMBL3465631

COCCCOS(=O)(=O)OCCCOC

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
USP2 O75604 1/20 0.43
LMNA P02545 1/20 0.43
MMP9 P14780 1/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
CA1 P00915 17/20 0.38
CA2 P00918 17/20 0.38
CA9 Q16790 15/20 0.38
CA12 O43570 5/20 0.36
CA7 P43166 5/20 0.36
CA14 Q9ULX7 5/20 0.36
CA3 P07451 4/20 0.36
CA4 P22748 4/20 0.36
CA6 P23280 4/20 0.36
CA5A P35218 4/20 0.36
CA5B Q9Y2D0 4/20 0.36
MAPK1 P28482 1/20 0.34

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
SCHEMBL14353544 0.94 ALDH1A1 (0.50) ALDH1A1KDM4EUSP2LMNAMMP9
SCHEMBL17456499 0.84 ALDH1A1 (0.36) ALDH1A1KDM4EUSP2LMNAMMP9
SCHEMBL22800829 0.84 MAPK1 (0.41) ALDH1A1KDM4EUSP2LMNAMMP9
SCHEMBL17456504 0.84 ALDH1A1 (0.36) ALDH1A1KDM4EUSP2LMNAMMP9
SCHEMBL9647721 0.82 USP2 (0.37) ALDH1A1KDM4EUSP2LMNAMMP9
SCHEMBL290561 0.81 USP2 (0.70) ALDH1A1KDM4EUSP2LMNAMMP9
SCHEMBL22800814 0.80 KDM4E (0.39) ALDH1A1KDM4EUSP2LMNAMMP9
SCHEMBL11293172 0.80 TSHR (0.46) ALDH1A1KDM4EUSP2LMNAMMP9
SCHEMBL4754921 0.79 FNTA (0.43) ALDH1A1KDM4EUSP2LMNAMMP9
SCHEMBL17456434 0.77 FNTA (0.42) ALDH1A1KDM4EUSP2LMNAMMP9

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-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
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
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 ALDH1A1 1815/4885KDM4E 2193/4885USP2 4559/4885

“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.