SCHEMBL1680977

SCHEMBL1680977

O=C(NCc1ccc(Cc2ccccn2)s1)c1ccc2ncccc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.53
PLK1 P53350 1/20 0.53
KDM4E B2RXH2 3/20 0.52
POLB P06746 2/20 0.52
ALDH1A1 P00352 2/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
ALOX15 P16050 2/20 0.52
MAPT P10636 1/20 0.52
THRB P10828 1/20 0.52
PKM P14618 1/20 0.52
HPGD P15428 1/20 0.52
NR4A1 P22736 1/20 0.52
APEX1 P27695 1/20 0.52
CASP1 P29466 1/20 0.52
PTPN7 P35236 1/20 0.52
RECQL P46063 1/20 0.52
BLM P54132 1/20 0.52
CASP7 P55210 1/20 0.52

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
SCHEMBL1681106 0.88 PLK1 (0.54) NAMPTPLK1ALDH1A1ALOX15MAPT
SCHEMBL1681264 0.85 PLK1 (0.56) NAMPTPLK1POLBALDH1A1ALOX15
SCHEMBL1681544 0.84 PLK1 (0.49) NAMPTPLK1KDM4EPOLBALDH1A1
SCHEMBL13491541 0.82 PLK1 (0.57) NAMPTPLK1KDM4EPOLBALDH1A1
SCHEMBL13491635 0.82 PLK1 (0.54) PLK1ALDH1A1ALOX15MAPTRAB9A
SCHEMBL1680916 0.82 LMNA (0.51) PLK1KDM4EPOLBALDH1A1MAPT
SCHEMBL1681189 0.82 PLK1 (0.52) PLK1POLBALDH1A1ALOX15MAPT
SCHEMBL1681202 0.82 EGLN1 (0.54) PLK1ALOX15LMNAHTTHDAC1
SCHEMBL13491542 0.80 ALOX15 (0.54) NAMPTPLK1POLBALDH1A1MEN1
SCHEMBL1681319 0.79 PKM (0.55) PLK1POLBALDH1A1L3MBTL1MEN1

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 NAMPT 1609/4885PLK1 928/4885KDM4E 3112/4885
US-20070105943-A1 Novel antifungal agent containing heterocyclic compound ERG28, DPM1, CYP51A1 NAMPT 1668/4885PLK1 1133/4885KDM4E 3245/4885

“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.