SCHEMBL4581211

SCHEMBL4581211

CCOc1cc(C#N)ccc1-n1c2c(n(C)c1=O)C(=O)CC(C)(C)C2

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 5/20 0.41
TRPV4 Q9HBA0 2/20 0.38
TP53 P04637 2/20 0.37
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA5 P31644 1/20 0.36
GABRA3 P34903 1/20 0.36
GABRA2 P47869 1/20 0.36
GAA P10253 1/20 0.35
IDH1 O75874 2/20 0.35
BRPF1 P55201 1/20 0.34
ATM Q13315 1/20 0.33
NPC1 O15118 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
SCHEMBL4580545 0.82 CYP11B2 (0.42) CYP11B2TP53POLBMAPT
SCHEMBL4579946 0.81 HSP90AA1 (0.43) CYP11B2MAPTGAAIDH1BRPF1
SCHEMBL1219334 0.73 ALDH1A1 (0.44) TP53MAPTIDH1
SCHEMBL4578462 0.68 CYP11B2 (0.46) CYP11B2POLB
SCHEMBL4581097 0.67 CYP11B2 (0.41) CYP11B2POLB
SCHEMBL4581710 0.65 HSP90AA1 (0.46) CYP11B2BRPF1
SCHEMBL4582471 0.64 CYP11B2 (0.42) CYP11B2
SCHEMBL14292225 0.64 OPRM1 (0.38) CYP11B2GAA
SCHEMBL4580721 0.64 HSP90AA1 (0.49) CYP11B2
SCHEMBL1402437 0.62 TRPV4 (0.61) TRPV4MAPTGABRG2GABRB3GABRA5

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 CYP11B2 710/4885TRPV4 1151/4885TP53 15/4885

“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.