SCHEMBL1680663

SCHEMBL1680663

O=C(NCc1cc(Oc2ccccc2)ccn1)c1ccc2ncccc2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 2/20 0.60
NAMPT P43490 1/20 0.51
PLK1 P53350 1/20 0.50
SCN9A Q15858 1/20 0.48
BCAT1 P54687 1/20 0.47
ALOX15 P16050 2/20 0.47
HTT P42858 2/20 0.47
ALDH1A1 P00352 2/20 0.47
MAPT P10636 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
POLB P06746 2/20 0.47
KDM4E B2RXH2 1/20 0.47
THRB P10828 1/20 0.47
PKM P14618 1/20 0.47
HPGD P15428 1/20 0.47
NR4A1 P22736 1/20 0.47
APEX1 P27695 1/20 0.47
CASP1 P29466 1/20 0.47
PTPN7 P35236 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 0.86 FFAR1 (0.57) MAPK14PLK1HTTHPGDLMNA
SCHEMBL1681381 0.86 MAPK14 (0.61) MAPK14NAMPTPLK1BCAT1ALOX15
SCHEMBL12352675 0.84 MAPK14 (0.56) MAPK14NAMPTPLK1BCAT1ALOX15
SCHEMBL13491605 0.82 MAPK14 (0.51) MAPK14PLK1BCAT1ALOX15HTT
SCHEMBL13491618 0.82 MAPK14 (0.51) MAPK14PLK1BCAT1ALOX15HTT
SCHEMBL1681352 0.81 MAPK14 (0.49) MAPK14NAMPTPLK1BCAT1ALOX15
SCHEMBL1681148 0.81 MAPK14 (0.48) MAPK14PLK1BCAT1ALOX15HTT
SCHEMBL1680911 0.79 PLK1 (0.48) MAPK14PLK1BCAT1ALOX15HTT
SCHEMBL3213042 0.79 PLK1 (0.62) NAMPTPLK1BCAT1ALOX15HTT
SCHEMBL13491593 0.78 EGLN1 (0.55) MAPK14PLK1HTTMAPTHPGD

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 8 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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 MAPK14 2815/4885NAMPT 1609/4885PLK1 928/4885
US-20070105943-A1 Novel antifungal agent containing heterocyclic compound ERG28, DPM1, CYP51A1 MAPK14 3031/4885NAMPT 1668/4885PLK1 1133/4885

“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.