SCHEMBL6516746

SCHEMBL6516746

CCC(NCCN(C)C)c1ncc(Cl)c(=O)n1Cc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.39
KIF11 P52732 8/20 0.37
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
P2RX7 Q99572 2/20 0.37
BPTF Q12830 1/20 0.36
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 1/20 0.35
ADORA3 P0DMS8 1/20 0.34
ADORA2B P29275 1/20 0.34
BRD4 O60885 1/20 0.34
PDE1A P54750 1/20 0.34
PDE1B Q01064 1/20 0.34
PDE1C Q14123 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
SCHEMBL12454692 0.82 CACNA2D1 (0.48) POLBKIF11MEN1KMT2AKDM4E
SCHEMBL6525429 0.81 PDE4A (0.51) POLBKIF11MEN1KMT2AKDM4E
SCHEMBL5555016 0.80 PDE4A (0.41) POLBKIF11MEN1KMT2AKDM4E
SCHEMBL3838937 0.79 KIF11 (0.40) POLBKIF11MEN1KMT2AKDM4E
SCHEMBL4028286 0.79 MEN1 (0.46) POLBKIF11MEN1KMT2AKDM4E
SCHEMBL5356314 0.78 KIF11 (0.40) POLBKIF11MEN1KMT2AKDM4E
SCHEMBL5100445 0.78 KIF11 (0.62) KIF11
SCHEMBL5100270 0.78 KIF11 (0.51) POLBKIF11MEN1KMT2AKDM4E
SCHEMBL3837879 0.77 MEN1 (0.41) POLBKIF11MEN1KMT2AKDM4E
SCHEMBL4046310 0.76 KIF11 (0.53) POLBKIF11MEN1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050234080-A1 Mitotic kinesin inhibitors COLEMAN PAUL J 2005-10-20 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-20050234080-A1 Mitotic kinesin inhibitors KIF5B, KIF2C, KIFC1 POLB 391/4885KIF11 9/4885MEN1 2233/4885

“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.