SCHEMBL1680768

SCHEMBL1680768

Nc1ccc(C(=O)NCc2cccc(Oc3ccccc3)c2)cn1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.60
MAPK14 Q16539 5/20 0.58
HPGD P15428 1/20 0.56
ROCK2 O75116 1/20 0.55
MMP13 P45452 2/20 0.54
LMNA P02545 1/20 0.53
CYP3A4 P08684 1/20 0.53
HTT P42858 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.52
HPGDS O60760 1/20 0.51
EPHX2 P34913 2/20 0.51
PLAU P00749 1/20 0.51
LOX P28300 2/20 0.51
LOXL2 Q9Y4K0 2/20 0.51
MAOA P21397 1/20 0.51
PRKACA P17612 1/20 0.50
GRK5 P34947 1/20 0.50
PRKX P51817 1/20 0.50
PRKCQ Q04759 1/20 0.50

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
SCHEMBL13450237 0.87 MMP13 (0.67) HPGDROCK2MMP13LMNACYP3A4
SCHEMBL1680889 0.86 L3MBTL1 (0.73) FFAR1MAPK14HPGDROCK2MMP13
SCHEMBL13450997 0.85 L3MBTL1 (0.69) HPGDROCK2LMNAL3MBTL1HPGDS
SCHEMBL13450862 0.81 MMP13 (0.59) HPGDROCK2MMP13L3MBTL1HPGDS
SCHEMBL13450865 0.81 ROCK2 (0.55) ROCK2L3MBTL1HPGDSEPHX2PLAU
SCHEMBL1680391 0.80 LMNA (0.61) HPGDLMNAHTTSMN1; SMN2L3MBTL1
SCHEMBL919974 0.79 HPGD (0.53) FFAR1MAPK14HPGDPLAU
SCHEMBL1681281 0.79 FFAR1 (0.60) FFAR1MAPK14HPGDROCK2MMP13
SCHEMBL13450623 0.78 EPHX2 (0.53) ROCK2MMP13LMNACYP3A4HTT
SCHEMBL5697540 0.78 PSMD14 (0.54) FFAR1MAPK14HPGDROCK2MMP13

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 FFAR1 3313/4885MAPK14 2815/4885HPGD 2538/4885
US-20090227799-A1 Novel Antimalarial Agent Containing Heterocyclic Compound XPO1, THPO, G6PD FFAR1 3270/4885MAPK14 2841/4885HPGD 1490/4885
US-20070105943-A1 Novel antifungal agent containing heterocyclic compound ERG28, DPM1, CYP51A1 FFAR1 3308/4885MAPK14 3031/4885HPGD 2725/4885

“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.