SCHEMBL560978

SCHEMBL560978

NC(=O)Nc1scc(Br)c1C(N)=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 6/20 0.35
JAK2 O60674 2/20 0.35
JAK3 P52333 1/20 0.35
MAPT P10636 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
MAPK8 P45983 2/20 0.34
KDM4E B2RXH2 2/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
ALDH1A1 P00352 3/20 0.33
LMNA P02545 2/20 0.33
MEN1 O00255 1/20 0.33
EIF2AK2 P19525 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
ANO1 Q5XXA6 1/20 0.33
EPHB4 P54760 1/20 0.33
GALR3 O60755 1/20 0.33
NR2F2 P24468 1/20 0.33

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
SCHEMBL1930005 0.79 EPHB4 (0.40) IKBKBJAK2JAK3MAPTSMN1; SMN2
SCHEMBL7616569 0.71 PTK2 (0.44) MAPTMAPK8NPC1RAB9AALDH1A1
Hydrochloric Acid SCHEMBL7609646 0.69 MAPK8 (0.43) MAPTMAPK8NPC1RAB9AALDH1A1
SCHEMBL7567651 0.68 ADORA3 (0.44) IKBKBMAPTSMN1; SMN2KDM4ENPC1
SCHEMBL1926572 0.67 MAPT (0.48) MAPTSMN1; SMN2KDM4ENPC1RAB9A
SCHEMBL16246364 0.67 PTK2 (0.49) MAPTSMN1; SMN2MAPK8KDM4ERAB9A
SCHEMBL17625464 0.66 IKBKB (0.34) IKBKBJAK2JAK3MAPTSMN1; SMN2
SCHEMBL26295499 0.66 EPHB4 (0.39) MAPTSMN1; SMN2MAPK8KDM4ENPC1
SCHEMBL20014923 0.65 MAPK1 (0.58) MAPTSMN1; SMN2MAPK8KDM4ERAB9A
SCHEMBL491042 0.64 IKBKB (0.55) IKBKBJAK2JAK3ALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120035251-A1 THIOPHENE INHIBITORS OF IKK-B SERINE-THREONINE PROTEIN KINASE CHROMA THERAPEUTICS LD. (GB) 2012-02-09 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-20120035251-A1 THIOPHENE INHIBITORS OF IKK-B SERINE-THREONINE PROTEIN KINASE IKBKE, IKBKB, NFKBIA IKBKB 2/4885JAK2 143/4885JAK3 213/4885

“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.