SCHEMBL4580741

SCHEMBL4580741

Cn1c2c(n(-c3ccc(C(N)=O)cc3)c1=O)CC(C)(C)CC2=O

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 9/20 0.58
HSP90AB1 P08238 5/20 0.58
CYP11B2 P19099 2/20 0.44
TP53 P04637 1/20 0.40
KMT2A Q03164 2/20 0.39
OPRM1 P35372 1/20 0.38
MAPT P10636 1/20 0.38
MEN1 O00255 1/20 0.38
THRB P10828 1/20 0.38
KDM4E B2RXH2 1/20 0.37
BRD4 O60885 1/20 0.37
ALDH1A1 P00352 1/20 0.37
BRPF1 P55201 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL4581710 0.82 HSP90AA1 (0.46) HSP90AA1HSP90AB1CYP11B2OPRM1KDM4E
SCHEMBL4578947 0.82 HSP90AA1 (0.44) HSP90AA1HSP90AB1
SCHEMBL4580028 0.79 HSP90AA1 (0.42) HSP90AA1HSP90AB1
SCHEMBL4579946 0.78 HSP90AA1 (0.43) HSP90AA1HSP90AB1CYP11B2MAPTKDM4E
SCHEMBL4580635 0.76 HSP90AA1 (0.44) HSP90AA1HSP90AB1
SCHEMBL4582516 0.76 HSP90AA1 (0.56) HSP90AA1HSP90AB1
SCHEMBL1219767 0.75 KMT2A (0.69) HSP90AA1HSP90AB1TP53KMT2AMAPT
SCHEMBL4580956 0.75 HSP90AA1 (0.66) HSP90AA1HSP90AB1
SCHEMBL1220930 0.74 HSP90AA1 (0.62) HSP90AA1HSP90AB1CYP11B2TP53KMT2A
SCHEMBL4581205 0.74 HSP90AA1 (0.70) HSP90AA1HSP90AB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080076813-A1 Benzene, Pyridine, and Pyridazine Derivatives SERENEX, INC. 2008-03-27 US claimed
US-20080076813-A1 Benzene, Pyridine, and Pyridazine Derivatives SERENEX, INC. 2008-03-27 US disclosed
US-20080076813-A1 Benzene, Pyridine, and Pyridazine Derivatives SERENEX, INC. 2008-03-27 US disclosed
WO-2008024970-A2 TETRAHYDROINDOLONE AND TETRAHYDROINDAZOLONE DERIVATIVES SERENEX, INC. (US) 2008-02-28 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-20080076813-A1 Benzene, Pyridine, and Pyridazine Derivatives MKI67, CCNB1, CCNB3 HSP90AA1 2797/4885HSP90AB1 2208/4885CYP11B2 710/4885

“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.