SCHEMBL5630201

SCHEMBL5630201

CC(=O)Oc1ccc(O)c(C#N)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.47
LMNA P02545 3/20 0.44
KDM4E B2RXH2 3/20 0.44
ACHE P22303 2/20 0.42
CUL4A Q13619 1/20 0.42
XDH P47989 1/20 0.41
MAPT P10636 3/20 0.41
POLB P06746 2/20 0.41
CA12 O43570 2/20 0.41
CA9 Q16790 2/20 0.41
PKM P14618 1/20 0.41
GLA P06280 1/20 0.41
GAA P10253 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MEN1 O00255 1/20 0.40
TTR P02766 1/20 0.40
TP53 P04637 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
AR P10275 1/20 0.40

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
SCHEMBL15496058 0.84 ELANE (0.44) XDHTP53KMT2AARELANE
SCHEMBL5263668 0.83 ACHE (0.54) CYP3A4LMNAKDM4EACHECUL4A
SCHEMBL27569649 0.82 ACHE (0.47) KDM4EACHEXDHGLAGAA
SCHEMBL28397412 0.81 LMNA (0.43) CYP3A4LMNAKDM4EACHECUL4A
SCHEMBL21728056 0.81 LMNA (0.43) CYP3A4LMNAKDM4EACHECUL4A
SCHEMBL28068682 0.81 MRGPRX4 (0.48) CYP3A4LMNAKDM4EACHECUL4A
SCHEMBL27935121 0.79 KDM4E (0.56) CYP3A4LMNAKDM4EACHECUL4A
SCHEMBL21719017 0.79 CYP3A4 (0.44) CYP3A4LMNAKDM4EACHECUL4A
SCHEMBL1119284 0.78 MEN1 (0.50) CYP3A4KDM4EMAPTPOLBGLA
SCHEMBL8071507 0.78 AR (0.54) CYP3A4LMNAKDM4EACHECUL4A

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-20070060748-A1 Compounds with mixed pde-inhibitory and beta-adrenergic antagonist or partial agonist activity for treatment of heart failure ARTESIAN THERAPEUTICS, INC. 2007-03-15 US disclosed
EP-1565472-A2 COMPOUNDS WITH MIXED PDE-INHIBITORY AND BETA-ADRENERGIC ANTAGONIST OR PARTIAL AGONIST ACTIVITY FOR TREATMENT OF HEART FAILURE Artesian Therapeutics, Inc. (US) 2005-08-24 EP disclosed
WO-2004050657-A2 COMPOUNDS WITH MIXED PDE-INHIBITORY AND β-ADRENERGIC ANTAGONIST OR PARTIAL AGONIST ACTIVITY FOR TREATMENT OF HEART FAILURE ARTESIAN THERAPEUTICS, INC. (US) 2004-06-17 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-20070060748-A1 Compounds with mixed pde-inhibitory and beta-adrenergic antagonist or partial agonist activity for treatment of heart failure ADRB3, PDE3A, PDE3B CYP3A4 1067/4885LMNA 1122/4885KDM4E 1928/4885

“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.