SCHEMBL1680922

SCHEMBL1680922

Nc1nc2[nH]ccc2cc1C(=O)NCc1ccc(Oc2ccccc2)s1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GALR3 O60755 1/20 0.40
NR2F2 P24468 1/20 0.40
KLKB1 P03952 4/20 0.38
TNIK Q9UKE5 1/20 0.36
JAK2 O60674 1/20 0.36
MAP4K4 O95819 1/20 0.36
CHEK2 O96017 1/20 0.36
PRKCG P05129 1/20 0.36
CDK1 P06493 1/20 0.36
FES P07332 1/20 0.36
RET P07949 1/20 0.36
ROS1 P08922 1/20 0.36
FER P16591 1/20 0.36
FLT1 P17948 1/20 0.36
AXL P30530 1/20 0.36
FLT4 P35916 1/20 0.36
KDR P35968 1/20 0.36
FLT3 P36888 1/20 0.36
MAPK9 P45984 1/20 0.36
IRAK1 P51617 1/20 0.36

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
SCHEMBL1680988 0.82 GALR3 (0.40) GALR3NR2F2KLKB1MAPK8PRNP
SCHEMBL1680856 0.81 ALDH1A1 (0.40) GALR3NR2F2KLKB1MAPK8CA2
SCHEMBL1680994 0.81 NAMPT (0.55) KLKB1TNIKJAK2MAP4K4CHEK2
SCHEMBL1680407 0.80 MAPK8 (0.40) GALR3NR2F2KLKB1MAPK8PRNP
SCHEMBL921262 0.80 MAPK8 (0.38) GALR3NR2F2KLKB1MAPK8CA2
SCHEMBL1680398 0.80 MAPK8 (0.40) GALR3NR2F2KLKB1JAK2CHEK2
SCHEMBL920425 0.80 KLKB1 (0.40) GALR3NR2F2KLKB1MAPK8ALDH1A1
SCHEMBL1680939 0.80 GALR3 (0.41) GALR3NR2F2KLKB1MAPK8PRNP
SCHEMBL1680528 0.79 KDM4E (0.41) GALR3NR2F2KLKB1MAPK8PRNP
SCHEMBL1681109 0.79 MAPK14 (0.38) GALR3NR2F2KLKB1MAPK8CA2

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 GALR3 1471/4885NR2F2 3600/4885KLKB1 3404/4885
US-20070105943-A1 Novel antifungal agent containing heterocyclic compound ERG28, DPM1, CYP51A1 GALR3 1613/4885NR2F2 3793/4885KLKB1 3648/4885

“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.