SCHEMBL1944265

SCHEMBL1944265

NS(=O)(=O)c1ccc(CCNc2nn3cc(-c4ccc(O)cc4)nc3s2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 13/20 0.55
CA2 P00918 13/20 0.55
CA12 O43570 12/20 0.55
CA9 Q16790 12/20 0.55
FYN P06241 5/20 0.52
CA3 P07451 2/20 0.45
CA4 P22748 2/20 0.45
CA6 P23280 2/20 0.45
CA7 P43166 2/20 0.45
CA14 Q9ULX7 2/20 0.45
CA13 Q8N1Q1 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
CA5A P35218 1/20 0.44
TP53 P04637 1/20 0.43
MAPT P10636 1/20 0.43
THRB P10828 1/20 0.43
ALOX15 P16050 1/20 0.43
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL1943789 0.90 CA2 (0.69) CA1CA2CA12CA9FYN
SCHEMBL15603268 0.87 CA1 (0.54) CA1CA2CA12CA9FYN
SCHEMBL1946745 0.85 FYN (0.69) CA1CA2CA12CA9FYN
SCHEMBL1946905 0.85 CA1 (0.55) CA1CA2CA12CA9FYN
SCHEMBL1652931 0.84 FYN (0.58) CA1CA2CA12CA9FYN
SCHEMBL1946953 0.84 CA1 (0.55) CA1CA2CA12CA9FYN
SCHEMBL1944066 0.83 FYN (0.72) CA1CA2CA12CA9FYN
SCHEMBL1945596 0.83 CA12 (0.54) CA1CA2CA12CA9FYN
SCHEMBL1946803 0.83 FYN (0.68) CA1CA2CA12CA9FYN
SCHEMBL1649750 0.82 FYN (0.60) CA1CA2CA12CA9FYN

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
EP-2307425-B1 IMIDAZOTHIADIAZOLES DERIVATIVES MERCK PATENT GMBH (DE) 2014-03-26 EP claimed
EP-2307425-B1 IMIDAZOTHIADIAZOLES DERIVATIVES MERCK PATENT GMBH (DE) 2014-03-26 EP disclosed
US-8389554-B2 Imidazothiadiazole derivatives MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 2013-03-05 US disclosed
US-20110130396-A1 IMIDAZOTHIADIAZOLE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-06-02 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-20110130396-A1 IMIDAZOTHIADIAZOLE DERIVATIVES TGFBR1, TGFBR2, IGF1R CA1 4158/4885CA2 2566/4885CA12 4385/4885

“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.