SCHEMBL4580707

SCHEMBL4580707

CC1(C)CC(=O)C2=CC(=O)N(c3ccc(C(N)=O)cc3)C2C1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 7/20 0.45
HSP90AB1 P08238 4/20 0.43
CHRNA7 P36544 1/20 0.34
CHRNA10 Q9GZZ6 1/20 0.34
CHRNA9 Q9UGM1 1/20 0.34
CYP11B2 P19099 2/20 0.33
MAPK1 P28482 1/20 0.32
OPRM1 P35372 1/20 0.31
BCAT2 O15382 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
GPR119 Q8TDV5 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA7 P43166 1/20 0.31

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
SCHEMBL4580729 0.82 HSP90AA1 (0.39) HSP90AA1HSP90AB1MAPK1OPRM1HDAC6
SCHEMBL4580945 0.82 HSP90AA1 (0.34) HSP90AA1HSP90AB1
SCHEMBL14291808 0.80 HSP90AA1 (0.40) HSP90AA1HSP90AB1
SCHEMBL4580384 0.76 HSP90AA1 (0.36) HSP90AA1HSP90AB1
SCHEMBL14291682 0.68 HSP90AA1 (0.42) HSP90AA1HSP90AB1CHRNA7CHRNA10CHRNA9
SCHEMBL1220930 0.63 HSP90AA1 (0.62) HSP90AA1HSP90AB1CYP11B2OPRM1
SCHEMBL1219206 0.62 HSP90AA1 (1.00) HSP90AA1HSP90AB1OPRM1HDAC1HDAC6
SCHEMBL1219767 0.62 KMT2A (0.69) HSP90AA1HSP90AB1
SCHEMBL4580741 0.62 HSP90AA1 (0.58) HSP90AA1HSP90AB1CYP11B2OPRM1
SCHEMBL1219306 0.62 CA4 (0.67) HSP90AA1HSP90AB1OPRM1CA1CA2

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 2208/4885CHRNA7 3039/4885

“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.