SCHEMBL1680976

SCHEMBL1680976

O=C(NCc1ccc(Oc2cccc(F)c2)s1)c1ccc2ncccc2c1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 1/20 0.47
PLK1 P53350 1/20 0.44
LOX P28300 3/20 0.43
LOXL2 Q9Y4K0 3/20 0.43
HTT P42858 2/20 0.42
MAPK1 P28482 1/20 0.42
ALOX15 P16050 1/20 0.42
TP53 P04637 1/20 0.41
PTGER4 P35408 1/20 0.41
KLKB1 P03952 4/20 0.41
TAS1R3 Q7RTX0 1/20 0.40
TAS1R1 Q7RTX1 1/20 0.40
SMN1; SMN2 Q16637 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
SCHEMBL1681194 0.91 EGLN1 (0.48) EGLN1PLK1HTTMAPK1ALOX15
SCHEMBL1681122 0.90 PLK1 (0.45) EGLN1PLK1LOXLOXL2HTT
SCHEMBL1681352 0.89 MAPK14 (0.49) EGLN1PLK1LOXLOXL2HTT
SCHEMBL1680904 0.89 RAB9A (0.47) EGLN1PLK1LOXLOXL2HTT
SCHEMBL1680780 0.89 NPC1 (0.48) EGLN1PLK1LOXLOXL2HTT
SCHEMBL1680909 0.86 LOX (0.44) EGLN1PLK1LOXLOXL2HTT
SCHEMBL12352690 0.86 SLC8A1 (0.51) EGLN1PLK1LOXLOXL2KLKB1
SCHEMBL1680985 0.86 SPHK2 (0.46) PLK1LOXLOXL2MAPK1SMN1; SMN2
SCHEMBL1680952 0.85 EGLN1 (0.47) EGLN1PLK1LOXLOXL2HTT
SCHEMBL12352596 0.85 SCN9A (0.41) EGLN1HTTMAPK1

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-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-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

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 EGLN1 547/4885PLK1 928/4885LOX 1881/4885
US-20090227799-A1 Novel Antimalarial Agent Containing Heterocyclic Compound XPO1, THPO, G6PD EGLN1 441/4885PLK1 294/4885LOX 3392/4885
US-20070105943-A1 Novel antifungal agent containing heterocyclic compound ERG28, DPM1, CYP51A1 EGLN1 549/4885PLK1 1133/4885LOX 2211/4885

“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.