SCHEMBL1680846

SCHEMBL1680846

O=C(NCc1ccc(Oc2ccc(F)cc2F)o1)c1ccc2ncccc2c1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 1/20 0.46
PLK1 P53350 1/20 0.43
HTT P42858 2/20 0.43
MAPK1 P28482 1/20 0.43
CARM1 Q86X55 2/20 0.43
PRMT6 Q96LA8 1/20 0.42
ALOX15 P16050 1/20 0.41
HDAC1 Q13547 2/20 0.41
HDAC2 Q92769 1/20 0.41
BRD4 O60885 3/20 0.40
TP53 P04637 2/20 0.40
POLB P06746 1/20 0.40
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
KLKB1 P03952 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
PIK3CA P42336 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL1680542 0.93 EGLN1 (0.46) EGLN1PLK1HTTMAPK1ALOX15
SCHEMBL1681223 0.86 EGLN1 (0.47) EGLN1PLK1HTTMAPK1ALOX15
SCHEMBL1680911 0.83 PLK1 (0.48) EGLN1PLK1HTTALOX15HDAC1
SCHEMBL13491449 0.79 EGLN1 (0.54) EGLN1PLK1HTTMAPK1HDAC1
SCHEMBL13491446 0.78 EGLN1 (0.57) EGLN1PLK1HTTMAPK1ALOX15
SCHEMBL1680949 0.77 EGLN1 (0.54) EGLN1PLK1HTTMAPK1HDAC1
SCHEMBL1680726 0.76 PLK1 (0.54) EGLN1PLK1HTTALOX15HDAC1
SCHEMBL13491448 0.76 EGLN1 (0.57) EGLN1PLK1HTTMAPK1ALOX15
SCHEMBL2239617 0.76 PLK1 (0.51) EGLN1PLK1HTTALOX15HDAC1
SCHEMBL13491648 0.76 EGLN1 (0.52) EGLN1PLK1HTTALOX15HDAC1

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 547/4885PLK1 928/4885HTT 4818/4885
US-20070105943-A1 Novel antifungal agent containing heterocyclic compound ERG28, DPM1, CYP51A1 EGLN1 549/4885PLK1 1133/4885HTT 4819/4885

“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.