SCHEMBL928113

SCHEMBL928113

COc1ccc(-c2oc3ccc(N(C=O)OC(C)(C)C)cc3c(=O)c2O)cn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A2 P19784 4/20 0.43
CSNK2B P67870 4/20 0.43
CSNK2A1 P68400 4/20 0.43
RCE1 Q9Y256 1/20 0.42
MAPT P10636 10/20 0.42
KDM4E B2RXH2 7/20 0.42
CYP3A4 P08684 6/20 0.42
MEN1 O00255 5/20 0.42
KMT2A Q03164 5/20 0.42
ALDH1A1 P00352 4/20 0.42
CASP1 P29466 3/20 0.42
CASP7 P55210 3/20 0.42
TP53 P04637 7/20 0.40
RXFP1 Q9HBX9 2/20 0.40
POLB P06746 1/20 0.40
HSD17B10 Q99714 4/20 0.39
CYP2C9 P11712 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HPGD P15428 3/20 0.39
ERN1 O75460 2/20 0.39

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
SCHEMBL926584 0.84 PPARG (0.41) RCE1MAPTKDM4ECYP3A4MEN1
SCHEMBL928112 0.77 RCE1 (0.45) CSNK2A2CSNK2BCSNK2A1RCE1MAPT
SCHEMBL926217 0.74 CSNK2A2 (0.47) CSNK2A2CSNK2BCSNK2A1RCE1MAPT
SCHEMBL4650608 0.64 CSNK2A2 (0.82) CSNK2A2CSNK2BCSNK2A1MAPTKDM4E
SCHEMBL926583 0.63 KMT2A (0.45) RCE1MAPTKDM4EMEN1KMT2A
SCHEMBL5043660 0.63 CSNK2A2 (0.75) CSNK2A2CSNK2BCSNK2A1MAPTKDM4E
SCHEMBL7124716 0.62 CSNK2A2 (0.74) CSNK2A2CSNK2BCSNK2A1MAPTKDM4E
SCHEMBL7076972 0.62 KDM4E (0.69) CSNK2A2CSNK2BCSNK2A1MAPTKDM4E
SCHEMBL30714874 0.62 ACHE (0.62) CSNK2A2CSNK2BCSNK2A1MAPTKDM4E
SCHEMBL7644201 0.62 MAPT (0.46) CSNK2A2CSNK2BCSNK2A1MAPTKDM4E

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-8372866-B2 2-aryl and 2-heteroaryl 4H-1-benzopyran-4-one-6-amidino derivatives, new pharmacological agents for the treatment of arthritis, cancer and related pain ROTTAPHARM S.P.A. (IT) 2013-02-12 US disclosed
EP-2268628-B1 2-ARYL AND 2 -HETEROARYL 4H-1-BENZOPYRAN-4-ONE-6-AMIDINO DERIVATIVES FOR THE TREATMENT OF ARTHRITIS, CANCER AND RELATED PAIN ROTTAPHARM SPA (IT) 2012-05-16 EP disclosed
US-20110003861-A1 2-ARYL AND 2-HETEROARYL 4H-1-BENZOPYRAN-4-ONE-6-AMIDINO DERIVATIVES, NEW PHARMACOLOGICAL AGENTS FOR THE TREATMENT OF ARTHRITIS, CANCER AND RELATED PAIN ROTTAPHARM S.P.A. (IT) 2011-01-06 US 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-20110003861-A1 2-ARYL AND 2-HETEROARYL 4H-1-BENZOPYRAN-4-ONE-6-AMIDINO DERIVATIVES, NEW PHARMACOLOGICAL AGENTS FOR THE TREATMENT OF ARTHRITIS, CANCER AND RELATED PAIN NAT1, AADAC, OPRL1 CSNK2A2 1153/4885CSNK2B 2039/4885CSNK2A1 1319/4885

“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.