SCHEMBL4093018

SCHEMBL4093018

CCOC(=O)c1sc2ncccc2c1NC(=O)CC(C)C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.58
NPSR1 Q6W5P4 6/20 0.48
MAPT P10636 6/20 0.48
ALDH1A1 P00352 3/20 0.47
LMNA P02545 3/20 0.47
TP53 P04637 2/20 0.47
GAA P10253 2/20 0.45
KMT2A Q03164 4/20 0.45
HPGD P15428 4/20 0.45
TDP1 Q9NUW8 3/20 0.45
MEN1 O00255 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
RAB9A P51151 2/20 0.45
CYP1A2 P05177 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
THRB P10828 1/20 0.44
NPC1 O15118 1/20 0.44
BRD4 O60885 1/20 0.44
POLB P06746 2/20 0.43

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
SCHEMBL4102376 0.86 KDM4E (0.50) KDM4ENPSR1MAPTALDH1A1LMNA
SCHEMBL259246 0.81 HTT (0.58) KDM4EMAPTALDH1A1LMNATP53
SCHEMBL7541097 0.79 KDM4E (0.59) KDM4ENPSR1MAPTALDH1A1LMNA
SCHEMBL719584 0.77 KDM4E (0.58) KDM4ENPSR1MAPTALDH1A1LMNA
SCHEMBL16475087 0.76 KDM4E (0.57) KDM4ENPSR1MAPTALDH1A1LMNA
SCHEMBL1266041 0.74 KDM4E (0.56) KDM4ENPSR1MAPTALDH1A1LMNA
SCHEMBL258432 0.74 IKBKB (0.65) KDM4EMAPTALDH1A1LMNATP53
SCHEMBL30338754 0.74 IKBKB (0.65) KDM4EMAPTALDH1A1LMNATP53
SCHEMBL16475088 0.74 KDM4E (0.61) KDM4ENPSR1MAPTALDH1A1LMNA
SCHEMBL5648903 0.72 KDM4E (0.53) KDM4ENPSR1MAPTALDH1A1LMNA

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 6 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
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 886/4885NPSR1 4605/4885MAPT 38/4885
US-20080292626-A1 KINESIN INHIBITORS KIF5B, KIF5A, KIF5C KDM4E 886/4885NPSR1 4605/4885MAPT 38/4885

“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.