SCHEMBL1680992

SCHEMBL1680992

CC(=O)c1cccc(Oc2cccc(CNC(=O)c3ccc4ncccc4c3)c2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 3/20 0.51
PLK1 P53350 1/20 0.50
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
LOX P28300 2/20 0.48
LOXL2 Q9Y4K0 2/20 0.48
ROCK2 O75116 3/20 0.48
CYP3A4 P08684 3/20 0.48
CYP2D6 P10635 3/20 0.48
CYP2C9 P11712 3/20 0.48
ROCK1 Q13464 3/20 0.48
AURKA O14965 1/20 0.48
EGLN1 Q9GZT9 1/20 0.47
ALOX15 P16050 1/20 0.47
HTT P42858 1/20 0.47
PRKACA P17612 1/20 0.47
GSK3A P49840 1/20 0.47
GSK3B P49841 1/20 0.47
PRKX P51817 1/20 0.47
PRKCQ Q04759 1/20 0.47

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
SCHEMBL1681262 0.90 FFAR1 (0.57) MMP13PLK1LOXLOXL2ROCK2
SCHEMBL13491527 0.89 MMP13 (0.61) MMP13KMT2AROCK2CYP3A4CYP2D6
SCHEMBL13491492 0.89 MMP13 (0.53) MMP13PLK1ROCK2CYP3A4CYP2D6
SCHEMBL13491676 0.88 MMP13 (0.64) MMP13PLK1ROCK2CYP3A4CYP2D6
SCHEMBL1681075 0.88 MMP13 (0.61) MMP13KMT2AROCK2CYP3A4CYP2D6
SCHEMBL1681116 0.87 ALOX15 (0.58) MMP13PLK1ROCK2CYP3A4CYP2D6
SCHEMBL1680887 0.87 EGLN1 (0.56) MMP13PLK1ROCK2CYP3A4CYP2D6
SCHEMBL1680767 0.86 SCN9A (0.50) MMP13PLK1LOXLOXL2ROCK2
SCHEMBL1680867 0.86 EGLN1 (0.55) MMP13PLK1CYP3A4EGLN1HTT
SCHEMBL13002987 0.85 ROCK2 (0.65) MMP13PLK1KMT2AROCK2CYP3A4

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 4561/4885PLK1 928/4885MEN1 351/4885
US-20090227799-A1 Novel Antimalarial Agent Containing Heterocyclic Compound XPO1, THPO, G6PD MMP13 4373/4885PLK1 294/4885MEN1 1165/4885
US-20070105943-A1 Novel antifungal agent containing heterocyclic compound ERG28, DPM1, CYP51A1 MMP13 4583/4885PLK1 1133/4885MEN1 248/4885

“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.