SCHEMBL4579980

SCHEMBL4579980

COc1ccc(-c2ccc(C#N)c(NC3CCC(O)CC3)c2)cc1OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.48
ALDH1A1 P00352 4/20 0.48
MAPT P10636 3/20 0.48
GAA P10253 2/20 0.48
FYN P06241 1/20 0.47
PRKCQ Q04759 4/20 0.43
PRKCD Q05655 1/20 0.43
LMNA P02545 2/20 0.41
POLB P06746 1/20 0.41
EGFR P00533 1/20 0.41
INSR P06213 1/20 0.41
LCK P06239 1/20 0.41
PDGFRB P09619 1/20 0.41
PDGFRA P16234 1/20 0.41
PDE5A O76074 3/20 0.41
PDE1A P54750 1/20 0.41
PDE1B Q01064 1/20 0.41
PDE1C Q14123 1/20 0.41
HSP90AA1 P07900 1/20 0.40
HPGD P15428 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
SCHEMBL4581544 0.91 PRKCQ (0.42) KDM4EALDH1A1MAPTGAAFYN
SCHEMBL4581755 0.87 ALDH1A1 (0.42) KDM4EALDH1A1MAPTGAAFYN
SCHEMBL4579724 0.85 PGR (0.50) KDM4EALDH1A1MAPTGAAPRKCQ
SCHEMBL4580694 0.82 MAPT (0.44) KDM4EALDH1A1MAPTGAAPRKCQ
SCHEMBL4580882 0.80 HSP90AA1 (0.46) PRKCQPRKCDHSP90AA1TBK1
SCHEMBL4580648 0.80 PRKCQ (0.43) PRKCQPRKCDHSP90AA1TBK1
SCHEMBL4582583 0.79 PRKCQ (0.44) FYNPRKCQPRKCDHSP90AA1MELK
SCHEMBL4580711 0.79 HSP90AA1 (0.45) FYNPRKCQPRKCDHSP90AA1TBK1
SCHEMBL4579921 0.79 HSP90AA1 (0.56) KDM4EALDH1A1MAPTFYNLMNA
SCHEMBL4726191 0.78 MMP9 (0.38) MAPTPRKCQPRKCDHSP90AA1AR

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 6 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
WO-2008024963-A1 BENZENE, PYRIDINE, AND PYRIDAZINE DERIVATIVES SERENEX, INC. (US) 2008-02-28 WO 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 KDM4E 1246/4885ALDH1A1 767/4885MAPT 3882/4885

“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.