SCHEMBL4895606

SCHEMBL4895606

Nc1nn(Cc2ccccc2)c2ccc(-c3ccc(C(=O)O)o3)cc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
HPGD P15428 2/20 0.46
PDE5A O76074 7/20 0.45
KDM4E B2RXH2 2/20 0.45
NPC1 O15118 1/20 0.45
GMNN O75496 1/20 0.45
LMNA P02545 1/20 0.45
TP53 P04637 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
MAPT P10636 1/20 0.45
CYP2C9 P11712 1/20 0.45
ALOX15 P16050 1/20 0.45
NFKB1 P19838 1/20 0.45
MAPK1 P28482 1/20 0.45
CYP2C19 P33261 1/20 0.45
RAB9A P51151 1/20 0.45
BLM P54132 1/20 0.45
GFER P55789 1/20 0.45

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
SCHEMBL5196887 0.85 PDE5A (0.42) ALDH1A1HPGDPDE5AKDM4ENPC1
SCHEMBL4896885 0.80 KDM4E (0.47) ALDH1A1HPGDKDM4ERPA1NR4A1
SCHEMBL1900992 0.76 PDE5A (0.70) ALDH1A1HPGDPDE5AKDM4ENPC1
SCHEMBL3073752 0.71 PDE5A (0.73) ALDH1A1HPGDPDE5AKDM4ENPC1
SCHEMBL7494265 0.71 PDE5A (0.73) ALDH1A1HPGDPDE5AKDM4ENPC1
SCHEMBL4894995 0.71 JAK2 (0.48) ALDH1A1HPGDKDM4ETP53MAPT
SCHEMBL2661760 0.70 CNR1 (0.45) MAPTMAPK1SMN1; SMN2CNR1ACHE
SCHEMBL958473 0.70 CNR1 (0.58) ALDH1A1HPGDPDE5AKDM4ENPC1
SCHEMBL3205814 0.70 PDE5A (0.64) ALDH1A1HPGDPDE5AKDM4ENPC1
SCHEMBL3239696 0.70 PDE5A (0.52) ALDH1A1HPGDPDE5AKDM4ENPC1

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-20080090882-A1 Inhibitors of kinase h-sgk (human serum and glucocorticoid dependent kinase or SGK); diabetes, obesity, metabolic syndrome, systemic and pulmonary hypertonia, cardiovascular diseases and kidney diseases, fibroses and inflammatory processes; amide-substituted imidazoles, oxazoles, thiazoles, or furans MERCK PATENT GMBH (DE) 2008-04-17 US claimed
EP-1802583-A1 HETEROCYCLIC CARBONYL COMPOUNDS Merck Patent GmbH (DE) 2007-07-04 EP claimed
WO-2006045350-A1 HETEROCYCLIC CARBONYL COMPOUNDS MERCK PATENT GMBH (DE) 2006-05-04 WO claimed
US-8815924-B2 Heterocyclic carbonyl compounds MERCK PATENT GMBH (DE) 2014-08-26 US disclosed
US-20080090882-A1 Inhibitors of kinase h-sgk (human serum and glucocorticoid dependent kinase or SGK); diabetes, obesity, metabolic syndrome, systemic and pulmonary hypertonia, cardiovascular diseases and kidney diseases, fibroses and inflammatory processes; amide-substituted imidazoles, oxazoles, thiazoles, or furans MERCK PATENT GMBH (DE) 2008-04-17 US disclosed
EP-1802583-A1 HETEROCYCLIC CARBONYL COMPOUNDS Merck Patent GmbH (DE) 2007-07-04 EP disclosed
WO-2006045350-A1 HETEROCYCLIC CARBONYL COMPOUNDS MERCK PATENT GMBH (DE) 2006-05-04 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-20080090882-A1 Inhibitors of kinase h-sgk (human serum and glucocorticoid dependent kinase or SGK); diabetes, obesity, metabolic syndrome, systemic and pulmonary hypertonia, cardiovascular diseases and kidney diseases, fibroses and inflammatory processes; amide-substituted imidazoles, oxazoles, thiazoles, or furans SGK1, SGK2, SGK3 ALDH1A1 3961/4885HPGD 1322/4885PDE5A 2505/4885

“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.