SCHEMBL4579610

SCHEMBL4579610

CCOc1cc(N2C(=O)C=C3C(=O)CC(C)(C)CC32)ccc1C(N)=O

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.37
MKNK1 Q9BUB5 1/20 0.36
MKNK2 Q9HBH9 1/20 0.36
IRAK4 Q9NWZ3 4/20 0.35
HSP90AA1 P07900 5/20 0.34
HSP90AB1 P08238 5/20 0.34
KDM4E B2RXH2 3/20 0.34
MAPT P10636 2/20 0.34
ALDH1A1 P00352 1/20 0.34
HTT P42858 1/20 0.34
ATM Q13315 1/20 0.33
ADRB2 P07550 1/20 0.33
ADRB1 P08588 1/20 0.33
ADRB3 P13945 1/20 0.33
ADRA1D P25100 1/20 0.33
ADRA1A P35348 1/20 0.33
ADRA1B P35368 1/20 0.33
ALOX15 P16050 1/20 0.33

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
SCHEMBL14291808 0.90 HSP90AA1 (0.40) IRAK4HSP90AA1HSP90AB1KDM4E
SCHEMBL4580945 0.84 HSP90AA1 (0.34) HSP90AA1HSP90AB1
SCHEMBL4580991 0.83 HSP90AA1 (0.41) HSP90AA1HSP90AB1
SCHEMBL4580707 0.79 HSP90AA1 (0.45) HSP90AA1HSP90AB1
SCHEMBL4581622 0.76 HSP90AA1 (0.57) HSP90AA1HSP90AB1
SCHEMBL1220893 0.71 HSP90AA1 (0.63) HSP90AA1HSP90AB1KDM4EMAPTALDH1A1
SCHEMBL4580729 0.69 HSP90AA1 (0.39) HSP90AA1HSP90AB1KDM4EALDH1A1
SCHEMBL4580384 0.66 HSP90AA1 (0.36) HSP90AA1HSP90AB1
SCHEMBL4582599 0.65 HSP90AA1 (0.36) HSP90AA1HSP90AB1MAPT
SCHEMBL1220232 0.64 HSP90AA1 (0.59) HSP90AA1HSP90AB1KDM4EMAPTALDH1A1

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 5 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
WO-2008024970-A2 TETRAHYDROINDOLONE AND TETRAHYDROINDAZOLONE DERIVATIVES SERENEX, INC. (US) 2008-02-28 WO 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
US-20080076813-A1 Benzene, Pyridine, and Pyridazine Derivatives SERENEX, INC. 2008-03-27 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-20080076813-A1 Benzene, Pyridine, and Pyridazine Derivatives MKI67, CCNB1, CCNB3 GAA 4387/4885MKNK1 3685/4885MKNK2 2937/4885

“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.