SCHEMBL5385804

SCHEMBL5385804

c1ccc(Nc2n[nH]c(SCc3ccco3)n2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH3 Q9ULD8 3/20 0.52
GAA P10253 1/20 0.44
GFER P55789 1/20 0.44
METAP2 P50579 3/20 0.44
MAPT P10636 7/20 0.44
KDM4E B2RXH2 4/20 0.44
MAPK1 P28482 3/20 0.44
NPSR1 Q6W5P4 2/20 0.44
TDP1 Q9NUW8 2/20 0.42
CNR2 P34972 1/20 0.40
KMT2A Q03164 5/20 0.39
MEN1 O00255 2/20 0.39
RECQL P46063 2/20 0.39
POLB P06746 1/20 0.39
BLM P54132 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
TSHR P16473 1/20 0.39
NFKB1 P19838 1/20 0.39

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
SCHEMBL5385724 0.89 KCNH3 (0.54) KCNH3GAAMETAP2MAPTKDM4E
SCHEMBL5377391 0.89 MAPT (0.45) KCNH3METAP2MAPTKDM4EMAPK1
SCHEMBL5376887 0.86 SOS1 (0.48) KCNH3METAP2MAPTKDM4EMAPK1
SCHEMBL6396556 0.86 EGFR (0.53) GAAMETAP2MAPTKDM4EMAPK1
SCHEMBL6249532 0.83 MAPT (0.47) KCNH3MAPTMAPK1NPSR1KMT2A
SCHEMBL5382616 0.83 METAP2 (0.48) GAAMETAP2MAPTKDM4EMAPK1
SCHEMBL5382906 0.81 METAP2 (0.57) KCNH3GAAGFERMETAP2MAPT
SCHEMBL5382797 0.80 METAP2 (0.67) KCNH3METAP2MAPTKDM4EMAPK1
SCHEMBL5380678 0.80 MAPT (0.49) GAAMETAP2MAPTKDM4EMAPK1
SCHEMBL7083129 0.79 GAA (0.49) KCNH3GAAGFERMETAP2MAPT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7304082-B2 1,2,4-triazole derivatives, compositions, process of making and methods of use SMITHKLINE BEECHAM CORPORATION (US) 2007-12-04 US claimed
US-20050267185-A1 1,2,4-triazole derivatives, compositions, process of making and methods of use SMITHKLINE BEECHAM CORPORATION 2005-12-01 US claimed
US-7304082-B2 1,2,4-triazole derivatives, compositions, process of making and methods of use SMITHKLINE BEECHAM CORPORATION (US) 2007-12-04 US disclosed
US-20050267185-A1 1,2,4-triazole derivatives, compositions, process of making and methods of use SMITHKLINE BEECHAM CORPORATION 2005-12-01 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 (1 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-20050267185-A1 1,2,4-triazole derivatives, compositions, process of making and methods of use METAP2, METAP1, DNPEP KCNH3 4520/4885GAA 2089/4885GFER 4149/4885

“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.