SCHEMBL11887649

SCHEMBL11887649

NS(=O)(=O)c1ccc(CCNC(=O)c2cccc(Cl)c2)cc1

nearest known ligand 0.77

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 8/20 0.77
▸ CA2 P00918 8/20 0.77
▸ CA9 Q16790 4/20 0.69
▸ CA12 O43570 2/20 0.69
▸ MEN1 O00255 2/20 0.66
▸ KMT2A Q03164 2/20 0.66
▸ RXFP1 Q9HBX9 1/20 0.62
▸ CA7 P43166 2/20 0.61
▸ CA14 Q9ULX7 2/20 0.61
▸ TDP1 Q9NUW8 1/20 0.61
▸ L3MBTL1 Q9Y468 1/20 0.61
▸ TSHR P16473 1/20 0.61
▸ NLRP3 Q96P20 1/20 0.60

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
SCHEMBL13401868 0.85 NPC1 (0.70) CA1CA2CA9CA12MEN1
SCHEMBL30628487 0.84 CA1 (0.86) CA1CA2CA9CA12MEN1
SCHEMBL6046379 0.84 MEN1 (0.90) CA1CA2CA9CA12MEN1
SCHEMBL11807861 0.83 MEN1 (0.87) CA1CA2CA9CA12MEN1
SCHEMBL11624989 0.80 CA1 (0.75) CA1CA2CA9CA12MEN1
SCHEMBL11711747 0.80 NPC1 (0.64) MEN1KMT2AL3MBTL1
SCHEMBL8868584 0.79 CA2 (0.86) CA1CA2CA9CA12MEN1
SCHEMBL11627590 0.78 ALDH1A1 (0.51) CA1CA2TDP1L3MBTL1
SCHEMBL11627596 0.78 FLT1 (0.52) CA1CA2L3MBTL1NLRP3
SCHEMBL4305965 0.78 CA1 (0.89) CA1CA2CA9CA12MEN1

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
US-8785499-B2 Targeting NAD biosynthesis in bacterial pathogens UNIVERSITY OF MARYLAND, BALTIMORE (US) 2014-07-22 — — US disclosed
US-8785499-B2 Targeting NAD biosynthesis in bacterial pathogens UNIVERSITY OF MARYLAND, BALTIMORE (US) 2014-07-22 — — US disclosed
US-20120190708-A1 TARGETING NAD BIOSYNTHESIS IN BACTERIAL PATHOGENS UNIVERSITY OF MARYLAND, BALTIMORE (US) 2012-07-26 — — US disclosed
US-20120190708-A1 TARGETING NAD BIOSYNTHESIS IN BACTERIAL PATHOGENS UNIVERSITY OF MARYLAND, BALTIMORE (US) 2012-07-26 — — 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-20120190708-A1 TARGETING NAD BIOSYNTHESIS IN BACTERIAL PATHOGENS NAMPT, NAPRT, NADK CA1 4859/4885CA2 4445/4885CA9 4394/4885

“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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