SCHEMBL4580904

SCHEMBL4580904

N#Cc1ccc(N2C(=O)C(CCO)=C3CCCCC32)cc1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 7/20 0.36
USP14 P54578 4/20 0.35
CYP11B1 P15538 3/20 0.34
CYP11B2 P19099 3/20 0.34
KCNH2 Q12809 1/20 0.34
HRH3 Q9Y5N1 3/20 0.33
PRMT5 O14744 2/20 0.33
WDR77 Q9BQA1 2/20 0.33
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33
NR3C2 P08235 1/20 0.33
HTR7 P34969 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
SCHEMBL4581959 0.87 ELANE (0.37) CYP19A1USP14CYP11B2KCNH2HRH3
SCHEMBL4579431 0.86 NR3C2 (0.36) CYP19A1USP14CTSSCTSKNR3C2
SCHEMBL4581078 0.83 AR (0.35) KCNH2NR3C2
SCHEMBL4580923 0.82 KDM4E (0.38) CYP19A1CYP11B1CYP11B2HRH3
SCHEMBL4579589 0.82 PARP10 (0.35) HRH3
SCHEMBL4580705 0.80 CYP11B2 (0.43) CYP11B2
SCHEMBL4579335 0.78 ABCC9 (0.34)
SCHEMBL4580485 0.77 AR (0.41) NR3C2
SCHEMBL14252192 0.77 PRKCQ (0.38)
SCHEMBL4580091 0.77 PRKCQ (0.38)

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
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 CYP19A1 483/4885USP14 4239/4885CYP11B1 607/4885

“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.