SCHEMBL1680879

SCHEMBL1680879

Nc1ncc(Cl)cc1C(=O)NCc1cc(Cl)c(Oc2ccccc2)s1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 3/20 0.42
PTGER4 P35408 1/20 0.42
PTGER2 P43116 1/20 0.42
ALDH1A1 P00352 4/20 0.41
HPGD P15428 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
GAA P10253 1/20 0.41
HTT P42858 1/20 0.41
ATM Q13315 1/20 0.41
KLKB1 P03952 1/20 0.39
KMT2A Q03164 1/20 0.38
MET P08581 3/20 0.38
LMNA P02545 1/20 0.37
MAPK14 Q16539 1/20 0.37
CHRNA7 P36544 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL1681108 0.87 MAPK8 (0.53) MAPK8ALDH1A1HPGDL3MBTL1TDP1
SCHEMBL1680774 0.86 PTGER4 (0.42) MAPK8PTGER4PTGER2ALDH1A1HPGD
SCHEMBL920809 0.82 PTGER4 (0.58) MAPK8PTGER4PTGER2ALDH1A1HPGD
SCHEMBL1680398 0.75 MAPK8 (0.40) MAPK8ALDH1A1HPGDL3MBTL1TDP1
SCHEMBL920728 0.73 PTGER4 (0.44) MAPK8PTGER4PTGER2METMAPK14
SCHEMBL1680258 0.73 MAPK8 (0.39) MAPK8ALDH1A1HPGDL3MBTL1TDP1
SCHEMBL1680833 0.73 PTGER4 (0.42) MAPK8PTGER4ALDH1A1HPGDL3MBTL1
SCHEMBL1680626 0.71 FFAR1 (0.42) MAPK8ALDH1A1HPGDTDP1HTT
SCHEMBL1680941 0.69 MAPK8 (0.51) MAPK8ALDH1A1MAPK14
SCHEMBL1680975 0.69 MAPK8 (0.48) MAPK8ALDH1A1HPGDL3MBTL1TDP1

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 MAPK8 2211/4885PTGER4 3751/4885PTGER2 4115/4885
US-20090227799-A1 Novel Antimalarial Agent Containing Heterocyclic Compound XPO1, THPO, G6PD MAPK8 2935/4885PTGER4 3347/4885PTGER2 3496/4885
US-20070105943-A1 Novel antifungal agent containing heterocyclic compound ERG28, DPM1, CYP51A1 MAPK8 2317/4885PTGER4 3836/4885PTGER2 4154/4885

“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.