SCHEMBL1681075

SCHEMBL1681075

COc1ccc(Oc2cccc(CNC(=O)c3ccc4ncccc4c3)c2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 3/20 0.61
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
PRKACA P17612 2/20 0.54
PRKX P51817 2/20 0.54
PRKCQ Q04759 2/20 0.54
ROCK1 Q13464 2/20 0.54
ROCK2 O75116 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C9 P11712 1/20 0.54
GSK3A P49840 1/20 0.54
GSK3B P49841 1/20 0.54
CLK4 Q9HAZ1 1/20 0.54
PDGFRB P09619 1/20 0.54
FLT4 P35916 1/20 0.54
TP53 P04637 2/20 0.53
GAA P10253 1/20 0.53
AURKA O14965 1/20 0.53
HPGDS O60760 1/20 0.53

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
SCHEMBL13491527 0.95 MMP13 (0.61) MMP13PRKACAPRKXPRKCQROCK1
SCHEMBL1681116 0.93 ALOX15 (0.58) MMP13NPC1RAB9APRKACAPRKX
SCHEMBL13491676 0.92 MMP13 (0.64) MMP13NPC1RAB9AROCK1ROCK2
SCHEMBL13491429 0.92 MMP13 (0.55) MMP13NPC1RAB9ACLK4PDGFRB
SCHEMBL13491601 0.92 NPC1 (0.59) MMP13NPC1RAB9ACLK4TP53
SCHEMBL1681262 0.92 FFAR1 (0.57) MMP13ROCK2CYP3A4HPGDLMNA
SCHEMBL1680867 0.90 EGLN1 (0.55) MMP13RAB9ACYP3A4HPGDLMNA
SCHEMBL13491492 0.89 MMP13 (0.53) MMP13RAB9APRKACAPRKXPRKCQ
SCHEMBL1680991 0.89 MMP13 (0.49) MMP13RAB9APRKACAPRKXPRKCQ
SCHEMBL13491455 0.88 NPC1 (0.63) MMP13NPC1RAB9ACLK4TP53

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 MMP13 4561/4885NPC1 170/4885RAB9A 1844/4885
US-20090227799-A1 Novel Antimalarial Agent Containing Heterocyclic Compound XPO1, THPO, G6PD MMP13 4373/4885NPC1 459/4885RAB9A 391/4885
US-20070105943-A1 Novel antifungal agent containing heterocyclic compound ERG28, DPM1, CYP51A1 MMP13 4583/4885NPC1 154/4885RAB9A 1739/4885

“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.