SCHEMBL4579724

SCHEMBL4579724

COc1cccc(-c2ccc(C#N)c(NC3CCC(O)CC3)c2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 1/20 0.50
AR P10275 1/20 0.50
MAPT P10636 2/20 0.47
ALDH1A1 P00352 5/20 0.47
LMNA P02545 3/20 0.47
CYP1A2 P05177 3/20 0.47
CYP3A4 P08684 3/20 0.47
MAPK1 P28482 3/20 0.47
CYP2C19 P33261 3/20 0.47
USP2 O75604 2/20 0.47
CYP2D6 P10635 2/20 0.47
ALOX15 P16050 2/20 0.47
TSHR P16473 2/20 0.47
CLK4 Q9HAZ1 2/20 0.47
KDM4E B2RXH2 4/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
GLA P06280 2/20 0.44
GAA P10253 2/20 0.44
PRKCQ Q04759 3/20 0.43
PRKCD Q05655 2/20 0.43

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
SCHEMBL4579980 0.85 KDM4E (0.48) PGRARMAPTALDH1A1LMNA
SCHEMBL4581544 0.83 PRKCQ (0.42) PGRARMAPTALDH1A1LMNA
SCHEMBL4580694 0.81 MAPT (0.44) PGRARMAPTALDH1A1LMNA
SCHEMBL4580296 0.81 PIM1 (0.44) CYP1A2CYP2C19CLK4PRKCQPRKCD
SCHEMBL4581168 0.81 NR1H2 (0.42) PRKCQPRKCDHSP90AA1PIM1
SCHEMBL4579731 0.80 HSP90AA1 (0.61) HSP90AA1
SCHEMBL4581755 0.79 ALDH1A1 (0.42) PGRMAPTALDH1A1LMNAMAPK1
SCHEMBL4580882 0.79 HSP90AA1 (0.46) PRKCQPRKCDHSP90AA1
SCHEMBL4727895 0.79 PDE4B (0.46) MAPTALDH1A1USP2CYP2D6KDM4E
SCHEMBL4580648 0.79 PRKCQ (0.43) PRKCQPRKCDHSP90AA1

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 PGR 57/4885AR 771/4885MAPT 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.