SCHEMBL12450544

SCHEMBL12450544

[123I]c1ccc(-n2cc(-c3ccccc3)nn2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 5/20 0.61
CA1 P00915 4/20 0.61
CA9 Q16790 4/20 0.61
PTGS2 P35354 3/20 0.61
CA12 O43570 3/20 0.61
CA5A P35218 2/20 0.61
CA5B Q9Y2D0 2/20 0.61
PTGS1 P23219 2/20 0.61
OGT O15294 2/20 0.55
BCHE P06276 1/20 0.53
HSD17B1 P14061 1/20 0.53
HSD17B2 P37059 1/20 0.53
FLT3 P36888 2/20 0.51
GSK3B P49841 1/20 0.51
MIF P14174 1/20 0.50
KEAP1 Q14145 1/20 0.50
NFE2L2 Q16236 1/20 0.50
CYP19A1 P11511 1/20 0.50
CA4 P22748 1/20 0.48
CA7 P43166 1/20 0.48

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
SCHEMBL26628312 0.87 PTGS2 (0.67) CA2CA1CA9PTGS2CA12
SCHEMBL1119554 0.87 PTGS2 (0.66) CA2CA1CA9PTGS2CA12
Bromide SCHEMBL6256547 0.85 PTGS2 (0.64) CA2CA1CA9PTGS2CA12
SCHEMBL3758635 0.83 CA2 (0.66) CA2CA1CA9PTGS2CA12
SCHEMBL28330114 0.83 FLT3 (0.73) CA2CA1CA9PTGS2CA12
SCHEMBL12522541 0.83 FLT3 (0.73) CA2CA1CA9PTGS2CA12
SCHEMBL28337478 0.83 FLT3 (0.65) CA2CA1CA9PTGS2CA12
SCHEMBL12599087 0.83 HSD17B1 (0.74) CA2CA1CA9PTGS2CA12
SCHEMBL2053754 0.83 CA2 (0.61) CA2CA1CA9PTGS2CA12
SCHEMBL28309883 0.83 CA2 (0.61) CA2CA1CA9PTGS2CA12

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-20120237444-A1 IODINE RADIOLABELLING METHOD GE HEALTHCARE LIMITED (GB) 2012-09-20 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-20120237444-A1 IODINE RADIOLABELLING METHOD BTD, BTN3A1, BTF3 CA2 3375/4885CA1 2215/4885CA9 1275/4885

“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.