SCHEMBL6532768

SCHEMBL6532768

CC(C)(C)CCC(NCCNC(=O)O)c1ncc(Cl)c(=O)n1Cc1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 2/20 0.36
EGLN1 Q9GZT9 6/20 0.35
CHRM4 P08173 1/20 0.34
CHRM2 P08172 1/20 0.34
KDM4E B2RXH2 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
TP53 P04637 2/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
KIF11 P52732 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
NPC1 O15118 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
TSHR P16473 1/20 0.33
RAB9A P51151 1/20 0.33
PDE1C Q14123 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
SCHEMBL6516746 0.72 POLB (0.39) P2RX7KDM4EALDH1A1KIF11MEN1
SCHEMBL5821050 0.68 KIF11 (0.42) KDM4EALDH1A1HPGDKIF11LMNA
SCHEMBL5766155 0.66 P2RX7 (0.40) P2RX7KDM4EALDH1A1HPGDTDP1
SCHEMBL5724300 0.64 KIF11 (0.55) KDM4EKIF11MEN1KMT2ATDP1
SCHEMBL5532768 0.64 KIF11 (0.47) KDM4EKIF11MEN1KMT2ATDP1
SCHEMBL4039832 0.63 KIF11 (0.48) P2RX7KDM4EKIF11MAPT
SCHEMBL4715775 0.60 KIF11 (0.51) KDM4ESMN1; SMN2ALDH1A1KIF11MEN1
SCHEMBL5765941 0.59 PDE4A (0.51) MAPTPDE1C
SCHEMBL16133641 0.59 MAPT (0.46) KDM4ESMN1; SMN2TP53LMNAMAPT
SCHEMBL29213309 0.58 GGT1 (0.55) ALDH1A1MEN1KMT2ANPC1MAPT

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 P2RX7 4769/4885EGLN1 3381/4885CHRM4 4663/4885

“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.