SCHEMBL18857498

SCHEMBL18857498

Nc1ccncc1NS(=O)(=O)Nc1cnccc1N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.42
▸ CA12 O43570 2/20 0.42
▸ CA1 P00915 2/20 0.42
▸ CA2 P00918 2/20 0.42
▸ CA9 Q16790 2/20 0.42
▸ CA14 Q9ULX7 2/20 0.42
▸ PTGS1 P23219 10/20 0.39
▸ PTGS2 P35354 8/20 0.39
▸ ALDH1A1 P00352 3/20 0.37
▸ MAPT P10636 2/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KDM6B O15054 1/20 0.37
▸ KDM4A O75164 1/20 0.37
▸ THRB P10828 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ KDM4D Q6B0I6 1/20 0.37
▸ KDM4C Q9H3R0 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL18854020 0.93 CA12 (0.41) GAACA12CA1CA2CA9
SCHEMBL11594018 0.85 CA12 (0.40) GAACA12CA1CA2CA9
SCHEMBL18857496 0.84 CA12 (0.46) GAACA12CA1CA2CA9
SCHEMBL8557857 0.76 PTGS1 (0.39) GAAPTGS1PTGS2ALDH1A1MAPT
Toluene SCHEMBL28023301 0.76 PTGS1 (0.43) CA12CA1CA2CA9CA14
SCHEMBL15087911 0.74 — —
SCHEMBL2492621 0.72 — —
SCHEMBL28214123 0.72 GAA (0.42) GAACA12CA1CA2CA9
SCHEMBL18857746 0.71 KDM4C (0.43) GAACA12CA1CA2CA9
SCHEMBL9017891 0.71 HDAC1 (0.49) GAAALDH1A1MAPTKDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180134662-A1 Aminopyridine Based Buffers with Wide Buffering Ranges Antibiotics and Myelin Disease Therapy TPAT IP LLC 2018-05-17 — — US disclosed
US-9867813-B2 Aminopyridine based buffers with wide buffering ranges, antibiotics and myelin disease therapy TPAT IP LLC 2018-01-16 — — US disclosed
US-20170135998-A1 Aminopyridine Based Buffers with Wide Buffering Ranges, Antibiotics and Myelin Disease Therapy TPAT IP LLC 2017-05-18 — — 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 (2 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-20180134662-A1 Aminopyridine Based Buffers with Wide Buffering Ranges Antibiotics and Myelin Disease Therapy AQP4, PMP22, MAG GAA 779/4885CA12 1274/4885CA1 618/4885
US-20170135998-A1 Aminopyridine Based Buffers with Wide Buffering Ranges, Antibiotics and Myelin Disease Therapy AQP4, PMP22, MAG GAA 962/4885CA12 1332/4885CA1 678/4885

“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.

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