SCHEMBL25320111

SCHEMBL25320111

C#CCNC(=O)c1ccc(N)c(C#C)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.54
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
CA9 Q16790 1/20 0.54
CA14 Q9ULX7 1/20 0.54
NAMPT P43490 1/20 0.43
ALOX15 P16050 2/20 0.42
KDM4E B2RXH2 2/20 0.40
LMNA P02545 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
SCD O00767 1/20 0.38
HDAC1 Q13547 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
FNTA P49354 6/20 0.36
FNTB P49356 6/20 0.36
MAPT P10636 1/20 0.35
HIF1A Q16665 1/20 0.35
SLC22A6 Q4U2R8 1/20 0.35
SLC22A8 Q8TCC7 1/20 0.35
CSNK2A2 P19784 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
SCHEMBL24379050 0.86 CA12 (0.58) CA12CA1CA2CA9CA14
SCHEMBL26726417 0.83 CA12 (0.55) CA12CA1CA2CA9CA14
SCHEMBL17253366 0.81 CA1 (0.52) CA12CA1CA2CA9CA14
SCHEMBL7210123 0.77 CA12 (0.68) CA12CA1CA2CA9CA14
SCHEMBL4891137 0.76 KDM4E (0.56) CA12CA1CA2CA9CA14
SCHEMBL25318565 0.75 CA12 (0.47) CA12CA1CA2CA9CA14
SCHEMBL31116810 0.75 KDM4E (0.54) CA12CA1CA2CA9CA14
SCHEMBL20116196 0.74 CA1 (0.59) CA12CA1CA2CA9CA14
SCHEMBL17689597 0.74 NR1H4 (0.56) CA12CA1CA2CA9CA14
SCHEMBL28856783 0.74 CA2 (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-20250059229-A1 Compositions and Methods for Selective Labeling of Secondary Amines UNIV EMORY (US) 2025-02-20 US disclosed
WO-2023114963-A1 COMPOSITIONS AND METHODS FOR SELECTIVELY LABELING SECONDARY AMINES EMORY UNIVERSITY (US) 2023-06-22 WO 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-20250059229-A1 Compositions and Methods for Selective Labeling of Secondary Amines RNMT, DOT1L, ADAR CA12 2899/4885CA1 2340/4885CA2 2391/4885

“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.