SCHEMBL1680315

SCHEMBL1680315

COC(=O)c1cc2ccsc2[nH]c1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.47
DAO P14920 2/20 0.47
GLA P06280 1/20 0.47
GAA P10253 1/20 0.47
PARP15 Q460N3 5/20 0.43
TNKS2 Q9H2K2 5/20 0.43
PARP10 Q53GL7 4/20 0.43
PARP2 Q9UGN5 3/20 0.43
PARP14 Q460N5 1/20 0.43
HRH4 Q9H3N8 1/20 0.42
CHEK1 O14757 3/20 0.41
MET P08581 1/20 0.41
GSK3B P49841 1/20 0.41
LIMK1 P53667 1/20 0.41
DYRK1A Q13627 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41
DYRK1B Q9Y463 1/20 0.41
MAPT P10636 1/20 0.40
CNR2 P34972 1/20 0.39
ALDH1A1 P00352 2/20 0.39

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
SCHEMBL6954479 0.84 ALDH1A1 (0.56) KDM4EDAOGLAGAAPARP15
SCHEMBL25371919 0.83 DAO (0.51) KDM4EDAOGLAGAAPARP15
SCHEMBL1210546 0.80 DAO (0.51) DAOPARP15TNKS2PARP10PARP2
SCHEMBL992605 0.80 DAO (0.65) KDM4EDAOGLAGAAHRH4
SCHEMBL19664232 0.72 SMN1; SMN2 (0.44) KDM4ECHEK1METGSK3BLIMK1
SCHEMBL3632228 0.72 PADI4 (0.56) KDM4EDAOGLAGAAALDH1A1
SCHEMBL3359790 0.72 DAO (0.53) DAOPARP15TNKS2PARP10PARP2
SCHEMBL25424978 0.72 GAA (0.50) KDM4EDAOGLAGAAHRH4
SCHEMBL30529291 0.72 GAA (0.50) KDM4EDAOGLAGAAHRH4
SCHEMBL14757794 0.70 CA2 (0.40) KDM4EGLAGAACHEK1MET

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110195999-A1 NOVEL ANTIFUNGAL AGENT CONTAINING HETEROCYCLIC COMPOUND NAKAMOTO KAZUTAKA 2011-08-11 US disclosed
US-20110195999-A1 NOVEL ANTIFUNGAL AGENT CONTAINING HETEROCYCLIC COMPOUND NAKAMOTO KAZUTAKA 2011-08-11 US disclosed
US-20110195999-A1 NOVEL ANTIFUNGAL AGENT CONTAINING HETEROCYCLIC COMPOUND NAKAMOTO KAZUTAKA 2011-08-11 US disclosed
US-7932272-B2 Antifungal agent containing heterocyclic compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-04-26 US disclosed
US-7932272-B2 Antifungal agent containing heterocyclic compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-04-26 US disclosed
US-7932272-B2 Antifungal agent containing heterocyclic compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-04-26 US disclosed
US-20090227799-A1 Novel Antimalarial Agent Containing Heterocyclic Compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-09-10 US disclosed
US-20070105943-A1 Novel antifungal agent containing heterocyclic compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2007-05-10 US disclosed
US-20070105943-A1 Novel antifungal agent containing heterocyclic compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2007-05-10 US disclosed
US-20070105943-A1 Novel antifungal agent containing heterocyclic compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2007-05-10 US disclosed
EP-1782811-A1 NOVEL ANTIMALARIA AGENT CONTAINING HETEROCYCLIC COMPOUND Eisai R&D Management Co., Ltd. (JP) 2007-05-09 EP disclosed
EP-1669348-A1 NOVEL ANTIFUNGAL AGENT COMPRISING HETEROCYCLIC COMPOUND Eisai Co., Ltd. (JP) 2006-06-14 EP 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 (3 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-20110195999-A1 NOVEL ANTIFUNGAL AGENT CONTAINING HETEROCYCLIC COMPOUND ERG28, CYP51A1, XPO1 KDM4E 3112/4885DAO 57/4885GLA 910/4885
US-20090227799-A1 Novel Antimalarial Agent Containing Heterocyclic Compound XPO1, THPO, G6PD KDM4E 3022/4885DAO 1209/4885GLA 2842/4885
US-20070105943-A1 Novel antifungal agent containing heterocyclic compound ERG28, DPM1, CYP51A1 KDM4E 3245/4885DAO 59/4885GLA 1040/4885

“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.