SCHEMBL6479580

SCHEMBL6479580

CC(C)C(c1oc2ccccc2c(=O)c1Cc1cccc(C#N)c1)N1CCN=C1c1ccc2c(c1)OCO2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 3/20 0.39
GSK3B P49841 3/20 0.39
VKORC1 Q9BQB6 1/20 0.38
KDM4E B2RXH2 3/20 0.36
MAPT P10636 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
TP53 P04637 1/20 0.36
ALOX12 P18054 1/20 0.36
CASP1 P29466 1/20 0.36
HTT P42858 1/20 0.36
CASP7 P55210 1/20 0.36
TGFBR1 P36897 1/20 0.35
ALDH1A1 P00352 3/20 0.35
HPGD P15428 2/20 0.34
TNKS O95271 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ROCK2 O75116 1/20 0.34

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
SCHEMBL646432 0.92 GSK3A (0.37) GSK3AGSK3BMAPTTGFBR1ALDH1A1
SCHEMBL646147 0.91 KCNH2 (0.37) GSK3AGSK3BVKORC1ALDH1A1HPGD
SCHEMBL646932 0.91 CYP1A2 (0.41) GSK3AGSK3BKDM4EMAPTNPC1
SCHEMBL643824 0.88 CYP1A2 (0.38) MAPTNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL645288 0.83 KCNH2 (0.44) KDM4EMAPTMEN1KMT2ANPC1
SCHEMBL644186 0.83 KCNH2 (0.35) KDM4EMAPTMEN1KMT2ANPC1
SCHEMBL644184 0.81 CYP1A2 (0.45) KDM4EMAPTNPC1RAB9AALDH1A1
SCHEMBL645926 0.81 KIF11 (0.44) TP53
SCHEMBL643850 0.81 KIF11 (0.35) MEN1KMT2ANPC1TP53
SCHEMBL645975 0.81 MAOB (0.33)

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6924376-B2 Compounds, compositions and methods CYTOKINETICS, INC. (US) 2005-08-02 US disclosed
US-20040082638-A1 Compounds, compositions and methods CYTOKINETICS, INC. 2004-04-29 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-20040082638-A1 Compounds, compositions and methods ALPP, PCNA, MKI67 GSK3A 1458/4885GSK3B 1435/4885VKORC1 595/4885

“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.