SCHEMBL4102376

SCHEMBL4102376

CC(C)CC(=O)Nc1c(C(=O)O)sc2ncccc12

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.50
ALDH1A1 P00352 1/20 0.50
GAA P10253 2/20 0.46
THRB P10828 1/20 0.45
TP53 P04637 3/20 0.43
MAPT P10636 2/20 0.42
LMNA P02545 2/20 0.42
IKBKB O14920 1/20 0.42
CHUK O15111 1/20 0.42
LIMK1 P53667 1/20 0.42
KMT2A Q03164 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
CYP1A2 P05177 1/20 0.42
POLB P06746 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HPGD P15428 2/20 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
SCHEMBL4093018 0.86 KDM4E (0.58) KDM4EALDH1A1GAATHRBTP53
SCHEMBL9541072 0.82 KDM4E (0.50) KDM4EALDH1A1GAATHRBTP53
SCHEMBL27407297 0.80 KDM4E (0.51) KDM4EALDH1A1GAATHRBTP53
SCHEMBL7539997 0.79 KDM4E (0.50) KDM4EALDH1A1GAATHRBTP53
SCHEMBL2896096 0.79 KDM4E (0.52) KDM4EALDH1A1GAATHRBTP53
SCHEMBL259035 0.77 ALDH1A1 (0.54) KDM4EALDH1A1TP53IKBKBCHUK
SCHEMBL27419975 0.74 KDM4E (0.48) KDM4EALDH1A1GAATHRBTP53
SCHEMBL4849845 0.73 KDM4E (0.62) KDM4EALDH1A1GAATHRBTP53
SCHEMBL11339514 0.71 KDM4E (0.44) KDM4EALDH1A1GAATHRBTP53
SCHEMBL843920 0.71 KDM4E (0.56) KDM4EALDH1A1THRBTP53MAPT

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 8 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-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
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
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 KDM4E 886/4885ALDH1A1 1978/4885GAA 174/4885
US-20080292626-A1 KINESIN INHIBITORS KIF5B, KIF5A, KIF5C KDM4E 886/4885ALDH1A1 1978/4885GAA 174/4885

“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.