SCHEMBL4580452

SCHEMBL4580452

COc1cc(Nc2ccc(C(N)=O)c(NCCO)c2)cc(C)c1OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK9 P45984 2/20 0.45
MAPK10 P53779 1/20 0.45
HSP90AA1 P07900 4/20 0.42
HSP90AB1 P08238 4/20 0.42
SYK P43405 4/20 0.40
LMNA P02545 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
GAA P10253 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
PTK2 Q05397 3/20 0.38
MAPK1 P28482 2/20 0.38
MAPK8 P45983 2/20 0.38
CDC7 O00311 1/20 0.38
PLK4 O00444 1/20 0.38
CHEK1 O14757 1/20 0.38
DCLK1 O15075 1/20 0.38

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
SCHEMBL4580323 0.89 MAPK9 (0.45) MAPK9MAPK10HSP90AA1HSP90AB1SYK
SCHEMBL4581092 0.83 MAPK9 (0.43) MAPK9MAPK10HSP90AA1HSP90AB1SYK
SCHEMBL4581255 0.80 DYRK1A (0.41) MAPK9MAPK10LMNAMEN1KMT2A
Benzonitrile SCHEMBL4727025 0.74 MAPK9 (0.44) MAPK9MAPK10HSP90AA1HSP90AB1LMNA
SCHEMBL4582739 0.73 MAPK9 (0.51) MAPK9MAPK10HSP90AA1HSP90AB1SYK
SCHEMBL4580701 0.72 SYK (0.52) MAPK9MAPK10HSP90AA1HSP90AB1SYK
SCHEMBL4582836 0.70 MAPK9 (0.48) MAPK9MAPK10HSP90AA1HSP90AB1SYK
SCHEMBL13450261 0.69 MAPK9 (0.57) MAPK9MAPK10HSP90AA1HSP90AB1SYK
SCHEMBL4581538 0.69 MAPK9 (0.47) MAPK9MAPK10HSP90AA1HSP90AB1SYK
SCHEMBL4579223 0.69 MAPK10 (0.47) MAPK9MAPK10HSP90AA1HSP90AB1SYK

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-20080076800-A1 Benzene, Pyridine, and Pyridazine Derivatives SERENEX, INC. 2008-03-27 US claimed
US-20080076800-A1 Benzene, Pyridine, and Pyridazine Derivatives SERENEX, INC. 2008-03-27 US disclosed
US-20080076800-A1 Benzene, Pyridine, and Pyridazine Derivatives SERENEX, INC. 2008-03-27 US disclosed
US-20080076800-A1 Benzene, Pyridine, and Pyridazine Derivatives SERENEX, INC. 2008-03-27 US disclosed
WO-2008024963-A1 BENZENE, PYRIDINE, AND PYRIDAZINE 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-20080076800-A1 Benzene, Pyridine, and Pyridazine Derivatives RB1, MKI67, CCNB1 MAPK9 3008/4885MAPK10 3262/4885HSP90AA1 3426/4885

“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.