SCHEMBL2601677

SCHEMBL2601677

C#CCNC(=O)c1ccc([18F])cc1

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.63
CA1 P00915 1/20 0.63
CA2 P00918 1/20 0.63
CA9 Q16790 1/20 0.63
CA14 Q9ULX7 1/20 0.63
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
LMNA P02545 2/20 0.50
NAMPT P43490 1/20 0.49
ALDH1A1 P00352 3/20 0.49
HPGD P15428 2/20 0.47
HSD17B10 Q99714 1/20 0.47
KMT2A Q03164 1/20 0.46
ALOX12 P18054 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HDAC3 O15379 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC2 Q92769 1/20 0.46

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
SCHEMBL2605517 1.00 CA12 (0.63) CA12CA1CA2CA9CA14
SCHEMBL8374746 0.83 NPC1 (0.51) NPC1RAB9ALMNAALDH1A1HPGD
SCHEMBL14297345 0.83 CA12 (0.65) CA12CA1CA2CA9CA14
SCHEMBL18364959 0.83 CA12 (0.65) CA12CA1CA2CA9CA14
SCHEMBL18704415 0.82 CA12 (0.59) CA12CA1CA2CA9CA14
SCHEMBL22231071 0.82 NPC1 (0.55) NPC1RAB9ALMNAALDH1A1KMT2A
SCHEMBL6646101 0.81 CA1 (0.63) CA12CA1CA2CA9CA14
SCHEMBL28856783 0.81 CA2 (0.68) CA12CA1CA2CA9CA14
SCHEMBL9827345 0.81 CTSL (0.61) NPC1RAB9ALMNANAMPTALDH1A1
SCHEMBL7210123 0.81 CA12 (0.68) CA12CA1CA2CA9CA14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8680260-B2 18F-labeled azide compound, reagent for 18F-labeling and method for 18F-labeling of alkyne compound using same RIKEN (JP) 2014-03-25 US disclosed
US-20120101266-A1 18F-LABELED AZIDE COMPOUND, REAGENT FOR 18F-LABELING AND METHOD FOR 18F-LABELING OF ALKYNE COMPOUND USING SAME RIKEN (JP) 2012-04-26 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-20120101266-A1 18F-LABELED AZIDE COMPOUND, REAGENT FOR 18F-LABELING AND METHOD FOR 18F-LABELING OF ALKYNE COMPOUND USING SAME UMPS, APOBEC3G, FPR1 CA12 2097/4885CA1 2091/4885CA2 4258/4885

“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.