SCHEMBL4102334

SCHEMBL4102334

CCC(NCCCNC(=O)OC(C)(C)C)c1nn2c(cc3ccccc32)c(=O)n1Cc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.46
BRD4 O60885 5/20 0.39
GNRHR P30968 1/20 0.38
MAPT P10636 2/20 0.37
TLR7 Q9NYK1 3/20 0.36
NPSR1 Q6W5P4 2/20 0.36
IDO1 P14902 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PAX8 Q06710 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
SIGMAR1 Q99720 1/20 0.35

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
SCHEMBL4102984 0.88 KIF11 (0.42) KIF11BRD4MAPTNPSR1MEN1
SCHEMBL5863530 0.87 KIF11 (0.47) KIF11BRD4GNRHRMAPTTLR7
SCHEMBL5863338 0.86 KIF11 (0.48) KIF11BRD4GNRHRMAPTTLR7
SCHEMBL4092214 0.80 KIF11 (0.47) KIF11BRD4GNRHRMAPTTLR7
SCHEMBL5863198 0.78 KIF11 (0.42) KIF11MAPTTLR7NPSR1KMT2A
SCHEMBL3901568 0.77 KIF11 (0.49) KIF11BRD4GNRHRMAPTTLR7
SCHEMBL3871323 0.77 KIF11 (0.49) KIF11BRD4MAPTTLR7NPSR1
SCHEMBL4244493 0.77 KIF11 (0.42) KIF11BRD4GNRHRMAPTTLR7
SCHEMBL4244502 0.77 KIF11 (0.42) KIF11BRD4GNRHRMAPTTLR7
SCHEMBL4252736 0.76 KIF11 (0.40) KIF11BRD4GNRHRMAPTTLR7

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-20090214529-A9 KINESIN INHIBITORS TAIGEN BIOTECHNOLOGY CO., LTD. (TW) 2009-08-27 US disclosed
US-20090214529-A9 KINESIN INHIBITORS TAIGEN BIOTECHNOLOGY CO., LTD. (TW) 2009-08-27 US disclosed
US-20080292626-A1 KINESIN INHIBITORS TAIGEN BIOTECHNOLOGY CO., LTD. (TW) 2008-11-27 US disclosed
US-20080292626-A1 KINESIN INHIBITORS TAIGEN BIOTECHNOLOGY CO., LTD. (TW) 2008-11-27 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 (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-20090214529-A9 KINESIN INHIBITORS KIF5B, KIF5A, KIF5C KIF11 9/4885BRD4 2120/4885GNRHR 3478/4885
US-20080292626-A1 KINESIN INHIBITORS KIF5B, KIF5A, KIF5C KIF11 9/4885BRD4 2120/4885GNRHR 3478/4885

“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.