SCHEMBL4579775

SCHEMBL4579775

N#Cc1ccc(N2C(=O)C(CC(=O)O)=C3CCCCC32)c(Br)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.37
ALDH1A1 P00352 5/20 0.37
HPGD P15428 2/20 0.37
ALOX12 P18054 1/20 0.37
HDAC1 Q13547 2/20 0.36
HDAC8 Q9BY41 2/20 0.36
HDAC6 Q9UBN7 2/20 0.36
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
PARP1 P09874 1/20 0.35
TNK1 Q13470 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
FFAR4 Q5NUL3 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
GAA P10253 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
NPSR1 Q6W5P4 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
SCHEMBL4580923 0.88 KDM4E (0.38) KDM4EALDH1A1HPGDALOX12HDAC1
SCHEMBL4579431 0.83 NR3C2 (0.36) PTGDR2GAACPT1ACYP19A1
SCHEMBL4579520 0.81 NR3C2 (0.39)
SCHEMBL14292228 0.73 SETDB1 (0.34) KDM4EALDH1A1HPGDALOX12PTGDR2
SCHEMBL4580705 0.73 CYP11B2 (0.43) KDM4EALDH1A1HPGDALOX12MAPT
SCHEMBL4578452 0.73 OPRM1 (0.36) HDAC1HDAC8HDAC6SMN1; SMN2CYP3A4
SCHEMBL4580904 0.70 CYP19A1 (0.36) CYP11B2CYP19A1CYP11B1
SCHEMBL4582527 0.69 PRKCQ (0.39)
SCHEMBL14252193 0.69 PRKCQ (0.39)
SCHEMBL4582295 0.69 ITGB3 (0.36) GAACPT2CPT1A

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 KDM4E 1162/4885ALDH1A1 580/4885HPGD 576/4885

“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.