SCHEMBL18857754

SCHEMBL18857754

Nc1cnccc1NCCS(=O)(=O)Nc1ccncc1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ MAPT P10636 1/20 0.38
▸ PTGS1 P23219 8/20 0.38
▸ PTGS2 P35354 7/20 0.38
▸ CA12 O43570 3/20 0.38
▸ CA1 P00915 3/20 0.38
▸ CA2 P00918 3/20 0.38
▸ CA9 Q16790 3/20 0.38
▸ CA14 Q9ULX7 3/20 0.38
▸ LATS1 O95835 1/20 0.35
▸ NAMPT P43490 1/20 0.35
▸ F10 P00742 1/20 0.35
▸ KMT2A Q03164 1/20 0.35

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
SCHEMBL18857756 0.92 HPGD (0.44) HPGDLMNAL3MBTL1MAPTPTGS1
SCHEMBL18857751 0.89 HPGD (0.40) HPGDLMNAL3MBTL1MAPTPTGS1
SCHEMBL18857755 0.81 HPGD (0.44) HPGDLMNAL3MBTL1MAPTPTGS1
SCHEMBL18857748 0.80 EGFR (0.41) L3MBTL1MAPTCA12CA1CA2
SCHEMBL18857749 0.74 KDM4C (0.43) L3MBTL1MAPTCA12CA1CA2
SCHEMBL8241807 0.71 KDM4C (0.53) LATS1
SCHEMBL8252207 0.71 MAPT (0.43) L3MBTL1MAPTLATS1KMT2A
SCHEMBL18857496 0.70 CA12 (0.46) LMNAL3MBTL1MAPTPTGS1PTGS2
SCHEMBL18857759 0.70 ECE1 (0.34) CA12CA1CA2CA9CA14
SCHEMBL13954931 0.69 KDM4C (0.56) LATS1

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-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 (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-20170135998-A1 Aminopyridine Based Buffers with Wide Buffering Ranges, Antibiotics and Myelin Disease Therapy AQP4, PMP22, MAG HPGD 2560/4885LMNA 1107/4885L3MBTL1 3242/4885

“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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