SCHEMBL18857759

SCHEMBL18857759

C=N/C=C\C(=C/C)NS(=O)(=O)CCNc1ccncc1N

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ECE1 P42892 1/20 0.34
▸ MUS81 Q96NY9 1/20 0.34
▸ CA12 O43570 2/20 0.33
▸ CA1 P00915 2/20 0.33
▸ CA2 P00918 2/20 0.33
▸ CA9 Q16790 2/20 0.33
▸ CA14 Q9ULX7 2/20 0.33
▸ KDM6B O15054 2/20 0.32
▸ KDM4C Q9H3R0 2/20 0.32
▸ SLC22A12 Q96S37 1/20 0.31
▸ HDAC3 O15379 1/20 0.31
▸ HDAC1 Q13547 1/20 0.31

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
SCHEMBL18857760 0.94 KDM4C (0.34) ECE1MUS81CA12CA1CA2
SCHEMBL18857752 0.92 ECE1 (0.34) ECE1MUS81CA12CA1CA2
SCHEMBL18857757 0.86 KDM4C (0.36) ECE1MUS81KDM6BKDM4C
SCHEMBL18857748 0.71 EGFR (0.41) CA12CA1CA2CA9CA14
SCHEMBL18857754 0.70 HPGD (0.40) CA12CA1CA2CA9CA14
SCHEMBL20182718 0.69 KDM4E (0.31) CA12CA1CA2CA9CA14
SCHEMBL18857749 0.67 KDM4C (0.43) CA12CA1CA2CA9CA14
SCHEMBL8241807 0.67 KDM4C (0.53) ECE1MUS81KDM6BKDM4CHDAC3
SCHEMBL8252207 0.64 MAPT (0.43) KDM6BKDM4CHDAC3HDAC1
SCHEMBL2551503 0.63 PTGER4 (0.49) HDAC3HDAC1

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 ECE1 2779/4885MUS81 3005/4885CA12 1274/4885
US-20170135998-A1 Aminopyridine Based Buffers with Wide Buffering Ranges, Antibiotics and Myelin Disease Therapy AQP4, PMP22, MAG ECE1 2720/4885MUS81 3040/4885CA12 1332/4885

“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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