SCHEMBL24209232

SCHEMBL24209232

C#CCNC(=O)c1ccc(C(=O)c2ccccc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.59
CA1 P00915 1/20 0.59
CA2 P00918 1/20 0.59
CA9 Q16790 1/20 0.59
CA14 Q9ULX7 1/20 0.59
ALDH1A1 P00352 4/20 0.57
LMNA P02545 2/20 0.57
HPGD P15428 2/20 0.57
FNTA P49354 3/20 0.54
FNTB P49356 3/20 0.54
NAMPT P43490 1/20 0.53
GAA P10253 1/20 0.53
POLB P06746 1/20 0.53
RAB9A P51151 2/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
NPC1 O15118 1/20 0.51
TDP1 Q9NUW8 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HDAC1 Q13547 1/20 0.47

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
SCHEMBL885016 0.93 CA12 (0.62) CA12CA1CA2CA9CA14
SCHEMBL28533415 0.86 CA1 (0.59) CA12CA1CA2CA9CA14
SCHEMBL10048262 0.83 NAMPT (0.58) CA12CA1CA2CA9CA14
SCHEMBL12240119 0.82 CA2 (0.59) CA12CA1CA2CA9CA14
SCHEMBL12240121 0.82 NAMPT (0.56) CA12CA1CA2CA9CA14
SCHEMBL1393863 0.82 CA12 (0.55) CA12CA1CA2CA9CA14
SCHEMBL1393864 0.82 CA12 (0.55) CA12CA1CA2CA9CA14
SCHEMBL18364959 0.80 CA12 (0.65) CA12CA1CA2CA9CA14
SCHEMBL14297345 0.80 CA12 (0.65) CA12CA1CA2CA9CA14
SCHEMBL13753313 0.80 ALDH1A1 (0.62) ALDH1A1LMNAHPGDGAAPOLB

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-20220017471-A1 FUNCTIONALITY INDEPENDENT LABELING OF ORGANIC COMPOUNDS UNIV SHANGHAI TECHNOLOGY (CN) 2022-01-20 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-20220017471-A1 FUNCTIONALITY INDEPENDENT LABELING OF ORGANIC COMPOUNDS PAICS, PFAS, OTC CA12 870/4885CA1 1724/4885CA2 3425/4885

“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.