SCHEMBL4091503

SCHEMBL4091503

CC(C)[C@@H](NCCCNC(=O)OC(C)(C)C)c1nc2c(oc3ccccc32)c(=O)n1Cc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.45
KIF11 P52732 1/20 0.41
TAAR1 Q96RJ0 1/20 0.40
POLB P06746 1/20 0.39
TLR7 Q9NYK1 4/20 0.38
MAPT P10636 4/20 0.38
HDAC6 Q9UBN7 1/20 0.37
KMT2A Q03164 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL4091501 1.00 TP53 (0.45) TP53KIF11TAAR1POLBTLR7
SCHEMBL4105415 0.90 TP53 (0.46) TP53TAAR1POLBMAPTHDAC6
SCHEMBL4789503 0.90 TP53 (0.49) TP53TAAR1POLBMAPTHDAC6
SCHEMBL13741951 0.88 TP53 (0.49) TP53TAAR1POLBMAPTHDAC6
SCHEMBL13742387 0.83 TP53 (0.46) TP53TAAR1POLBMAPTHDAC6
SCHEMBL4102093 0.83 KIF11 (0.46) KIF11TLR7MAPTKMT2ANPSR1
SCHEMBL13956802 0.82 KIF11 (0.46) KIF11TLR7MAPTNPSR1
SCHEMBL5107451 0.82 KIF11 (0.47) KIF11TLR7
SCHEMBL5647214 0.81 KIF11 (0.48) KIF11
SCHEMBL5650348 0.81 KIF11 (0.48) KIF11

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 5 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
WO-2008147852-A1 KINESIN INHIBITORS TAIGEN BIOTECHNOLOGY CO., LTD. (TW) 2008-12-04 WO 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 TP53 3779/4885KIF11 9/4885TAAR1 4666/4885
US-20080292626-A1 KINESIN INHIBITORS KIF5B, KIF5A, KIF5C TP53 3779/4885KIF11 9/4885TAAR1 4666/4885

“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.