SCHEMBL3496099

SCHEMBL3496099

O=C(O)c1nnn(-c2ccc(OCc3ccccc3)cc2)c1-c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.58
MDM2 Q00987 4/20 0.52
ALDH1A1 P00352 2/20 0.52
GAA P10253 1/20 0.52
POLB P06746 1/20 0.50
NR4A1 P22736 1/20 0.49
NR4A2 P43354 1/20 0.49
NR4A3 Q92570 1/20 0.49
MCL1 Q07820 3/20 0.47
BCL2 P10415 1/20 0.47
CA1 P00915 6/20 0.46
CA2 P00918 6/20 0.46
CA4 P22748 6/20 0.46
CA9 Q16790 6/20 0.46
SRD5A2 P31213 1/20 0.46
P4HTM Q9NXG6 1/20 0.45
PPARG P37231 1/20 0.44
PLA2G4B P0C869 1/20 0.44

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
SCHEMBL3494269 0.88 POLB (0.60) KDM4EMDM2ALDH1A1GAAPOLB
SCHEMBL4487634 0.81 KDM4E (0.72) KDM4EALDH1A1GAAPOLBCA1
SCHEMBL3495233 0.81 ALDH1A1 (0.46) KDM4EALDH1A1GAAPOLBMCL1
SCHEMBL22636196 0.76 MAOB (0.43) MDM2ALDH1A1GAAPOLBNR4A2
SCHEMBL5441298 0.73 NR4A2 (0.56) MDM2POLBNR4A1NR4A2NR4A3
SCHEMBL3107424 0.72 KDM4E (0.57) KDM4EMDM2ALDH1A1GAAPOLB
SCHEMBL14192708 0.71 PKM (0.55) MDM2ALDH1A1GAAPOLBNR4A1
Bicarbonate SCHEMBL9638235 0.70 FFAR1 (0.71) NR4A1NR4A2NR4A3MCL1SRD5A2
SCHEMBL2218503 0.70 HTT (0.56) KDM4EMDM2ALDH1A1PPARG
SCHEMBL9546819 0.70 ALDH1A1 (0.73) KDM4EALDH1A1GAAPOLBCA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100121048-A1 Cyclic Amine Compound and Use Thereof for the Prophylaxis or Treatment of Hypertension TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-13 US disclosed
US-20100121048-A1 Cyclic Amine Compound and Use Thereof for the Prophylaxis or Treatment of Hypertension TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-13 US disclosed
WO-2007094513-A2 CYCLIC AMINE COMPOUND AND USE THEREOF FOR THE PROPHYLAXIS OR TREATMENT OF HYPERTENSION TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-08-23 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-20100121048-A1 Cyclic Amine Compound and Use Thereof for the Prophylaxis or Treatment of Hypertension REN, AGTR1, AGTR2 KDM4E 780/4885MDM2 3846/4885ALDH1A1 1062/4885

“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.