SCHEMBL4359237

SCHEMBL4359237

Cc1ccc(C(=O)N[C@@H](c2nc(C)c(C)c(=O)n2Cc2ccccc2)C(C)C)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 4/20 0.53
GAA P10253 1/20 0.52
LMNA P02545 2/20 0.47
TP53 P04637 1/20 0.47
CYP3A4 P08684 3/20 0.46
CYP2C19 P33261 3/20 0.46
ALDH1A1 P00352 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
KIF23 Q02241 1/20 0.46
PPARG P37231 2/20 0.43
MAP1LC3B Q9GZQ8 1/20 0.43
KCNH2 Q12809 1/20 0.43
HDAC6 Q9UBN7 2/20 0.42
MAPT P10636 1/20 0.42
POLB P06746 1/20 0.42
PKM P14618 1/20 0.41

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
SCHEMBL5758990 0.86 GAA (0.52) KIF11GAALMNATP53CYP3A4
SCHEMBL6454042 0.82 KIF11 (0.62) KIF11GAACYP3A4CYP2C19ALDH1A1
SCHEMBL13956803 0.81 P2RX7 (0.42) KIF11LMNACYP3A4PPARGMAPT
SCHEMBL5407099 0.77 THRB (0.43) KIF11GAALMNACYP3A4CYP2C19
SCHEMBL1386243 0.76 LMNA (0.50) KIF11GAALMNATP53CYP3A4
SCHEMBL5395448 0.75 KIF11 (0.43) KIF11LMNACYP3A4CYP2C19SMN1; SMN2
SCHEMBL4541822 0.75 CASR (0.41) LMNAALDH1A1SMN1; SMN2NPSR1
SCHEMBL4541819 0.75 CASR (0.41) LMNAALDH1A1SMN1; SMN2NPSR1
SCHEMBL4366702 0.74 CASR (0.40) LMNAALDH1A1SMN1; SMN2NPSR1POLB
SCHEMBL4376437 0.74 KIF11 (0.78) KIF11CYP3A4CYP2C19KIF23MAP1LC3B

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-7482343-B2 Compounds, methods and compositions CYTOKINETICS, INC. (US) 2009-01-27 US disclosed
US-20070135432-A1 Compounds, methods and compositions CYTOKINETICS, INC. 2007-06-14 US disclosed
US-7166595-B2 Compounds, methods and compositions CYTOKINETICS, INC. (US) 2007-01-23 US disclosed
US-20040077662-A1 Compounds, methods and compositions CYTOKINETICS, INC. 2004-04-22 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 (2 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-20040077662-A1 Compounds, methods and compositions ALPP, PCNA, MKI67 KIF11 808/4885GAA 349/4885LMNA 554/4885
US-20070135432-A1 Compounds, methods and compositions ALPP, PCNA, MKI67 KIF11 808/4885GAA 349/4885LMNA 554/4885

“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.