SCHEMBL1681202

SCHEMBL1681202

O=C(NCc1ccc(Cc2cccc(F)c2)s1)c1ccc2ncccc2c1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 1/20 0.54
TP53 P04637 1/20 0.49
PLK1 P53350 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.47
ROCK2 O75116 4/20 0.44
MAOB P27338 1/20 0.44
HDAC6 Q9UBN7 2/20 0.43
HDAC1 Q13547 2/20 0.43
LMNA P02545 1/20 0.43
ALOX15 P16050 1/20 0.41
HTT P42858 1/20 0.41
KLKB1 P03952 1/20 0.41
KLK1 P06870 1/20 0.41
HDAC2 Q92769 1/20 0.41
NTRK1 P04629 1/20 0.41

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 0.89 PLK1 (0.54) EGLN1PLK1HDAC6HDAC1ALOX15
SCHEMBL1680916 0.88 LMNA (0.51) EGLN1PLK1MAOBHDAC6HDAC1
SCHEMBL13491369 0.86 EGLN1 (0.67) EGLN1TP53PLK1SMN1; SMN2ROCK2
SCHEMBL1680949 0.84 EGLN1 (0.54) EGLN1TP53PLK1SMN1; SMN2ROCK2
SCHEMBL12737406 0.82 NPC1 (0.57) TP53SMN1; SMN2MAOBLMNA
SCHEMBL1681319 0.82 PKM (0.55) PLK1SMN1; SMN2LMNA
SCHEMBL1680976 0.82 EGLN1 (0.47) EGLN1TP53PLK1SMN1; SMN2ALOX15
SCHEMBL1680977 0.82 NAMPT (0.53) EGLN1PLK1HDAC1LMNAALOX15
SCHEMBL1681264 0.82 PLK1 (0.56) EGLN1PLK1SMN1; SMN2HDAC6HDAC1
SCHEMBL1680850 0.81 EGLN1 (0.59) EGLN1TP53PLK1SMN1; SMN2ROCK2

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 547/4885TP53 2758/4885PLK1 928/4885
US-20070105943-A1 Novel antifungal agent containing heterocyclic compound ERG28, DPM1, CYP51A1 EGLN1 549/4885TP53 2795/4885PLK1 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.