SCHEMBL13801080

SCHEMBL13801080

Brc1ccc(-c2nc3sc(-c4ccc(Br)cc4)nc3s2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 3/20 0.44
KDM4E B2RXH2 3/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
LMNA P02545 1/20 0.44
PTGDR2 Q9Y5Y4 2/20 0.42
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA4 P22748 1/20 0.41
CA5A P35218 1/20 0.41
CA5B Q9Y2D0 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
MAPT P10636 2/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPK1 P28482 1/20 0.39
CYP19A1 P11511 1/20 0.39
MEN1 O00255 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
SCHEMBL25028051 0.78 ALDH1A1 (0.41) KDM4ERAB9ASMN1; SMN2LMNAMAPT
SCHEMBL4071808 0.77 APP (0.42) APPKDM4ERAB9ASMN1; SMN2LMNA
SCHEMBL13801093 0.76 ADORA3 (0.50) SMN1; SMN2PTGDR2ALDH1A1MEN1KMT2A
SCHEMBL13801077 0.76 ALOX5 (0.50) APPKDM4EPTGDR2
SCHEMBL25028283 0.76 ALDH1A1 (0.52) KDM4ERAB9ASMN1; SMN2LMNAPTGDR2
SCHEMBL13801087 0.76 MAPT (0.55) APPKDM4ERAB9ASMN1; SMN2LMNA
SCHEMBL13801070 0.76 ALOX5 (0.53) APPKDM4ERAB9ASMN1; SMN2LMNA
SCHEMBL30901053 0.76 APP (0.33) APPKDM4ESMN1; SMN2ALDH1A1MEN1
SCHEMBL9312637 0.75 ADORA3 (0.53) KDM4ESMN1; SMN2MAPTALDH1A1MEN1
SCHEMBL15618126 0.75 CA1 (0.56) KDM4ERAB9ASMN1; SMN2LMNACA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090156827-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS AND ORGANIC ELECTROLUMINESCENT ELEMENT TOYO INK MFG. CO., LTD. (JP) 2009-06-18 US disclosed
US-20090156827-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS AND ORGANIC ELECTROLUMINESCENT ELEMENT TOYO INK MFG. CO., LTD. (JP) 2009-06-18 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-20090156827-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS AND ORGANIC ELECTROLUMINESCENT ELEMENT ELP1, ELAVL1, ELF3 APP 3090/4885KDM4E 1648/4885RAB9A 2849/4885

“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.