SCHEMBL4580710

SCHEMBL4580710

CC1(C)CC(=O)C2=CC(=O)N(c3ccc(C#N)cc3Br)C2C1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.37
CYP11B2 P19099 3/20 0.35
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
GSK3A P49840 1/20 0.33
GSK3B P49841 1/20 0.33
OPRM1 P35372 4/20 0.32
OPRK1 P41145 4/20 0.32
OPRD1 P41143 2/20 0.32
ALK Q9UM73 2/20 0.32
CASP3 P42574 1/20 0.32
XIAP P98170 1/20 0.32
BIRC2 Q13490 1/20 0.32
HPGD P15428 1/20 0.31
ALOX12 P18054 1/20 0.31
GRM5 P41594 1/20 0.31

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
SCHEMBL4582346 0.80 POLB (0.32) POLBCYP11B2KDM4EALDH1A1MAPT
SCHEMBL4580545 0.67 CYP11B2 (0.42) POLBCYP11B2KDM4EALDH1A1MAPT
SCHEMBL247937 0.65 FFAR4 (0.39) POLBKDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL14291818 0.61 KDM4E (0.34) POLBCYP11B2KDM4EALDH1A1MAPT
SCHEMBL9140316 0.59 POLB (0.43) POLBXIAPBIRC2
SCHEMBL7295036 0.57 DRD2 (0.53) KDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL9162554 0.57 PGR (0.59) POLBCYP11B2ALKCASP3GRM5
SCHEMBL17275699 0.57 PGR (0.41) CYP11B2KDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL8874836 0.57 CYP2A6 (0.47) ALDH1A1GSK3B
SCHEMBL9773598 0.56 ELANE (0.43) POLBALKCASP3XIAPBIRC2

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 POLB 1584/4885CYP11B2 710/4885KDM4E 1162/4885

“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.