SCHEMBL1680952

SCHEMBL1680952

O=C(NCc1cc(Oc2cccc(F)c2)cs1)c1ccc2ncccc2c1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 1/20 0.47
GCK P35557 1/20 0.44
PLK1 P53350 1/20 0.44
LOX P28300 3/20 0.43
LOXL2 Q9Y4K0 3/20 0.43
KLKB1 P03952 4/20 0.42
HTT P42858 2/20 0.42
MAPK1 P28482 1/20 0.42
ALOX15 P16050 1/20 0.42
MAPK14 Q16539 1/20 0.41
TAS1R3 Q7RTX0 1/20 0.40
TAS1R1 Q7RTX1 1/20 0.40

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
SCHEMBL1680887 0.85 EGLN1 (0.56) EGLN1PLK1KLKB1HTTMAPK1
SCHEMBL1680976 0.85 EGLN1 (0.47) EGLN1PLK1LOXLOXL2KLKB1
SCHEMBL13491593 0.85 EGLN1 (0.55) EGLN1PLK1KLKB1HTTMAPK14
SCHEMBL12352690 0.84 SLC8A1 (0.51) EGLN1PLK1LOXLOXL2KLKB1
SCHEMBL1681223 0.81 EGLN1 (0.47) EGLN1PLK1KLKB1HTTMAPK1
SCHEMBL1680867 0.79 EGLN1 (0.55) EGLN1PLK1HTTMAPK1MAPK14
SCHEMBL13491369 0.78 EGLN1 (0.67) EGLN1PLK1HTTALOX15
SCHEMBL13491424 0.76 CYP3A4 (0.61) EGLN1PLK1HTTMAPK14
SCHEMBL1681262 0.76 FFAR1 (0.57) EGLN1PLK1LOXLOXL2HTT
SCHEMBL13491592 0.76 EGLN1 (0.57) EGLN1PLK1HTTMAPK1

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 EGLN1 547/4885GCK 1795/4885PLK1 928/4885
US-20070105943-A1 Novel antifungal agent containing heterocyclic compound ERG28, DPM1, CYP51A1 EGLN1 549/4885GCK 1938/4885PLK1 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.