SCHEMBL24534657

SCHEMBL24534657

C=C1N=C(c2ccc(NC(C)=O)cc2)OC1=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
HTT P42858 1/20 0.51
PTGS2 P35354 1/20 0.48
NISCH Q9Y2I1 1/20 0.44
KMT2A Q03164 8/20 0.44
MEN1 O00255 7/20 0.44
ALDH1A1 P00352 6/20 0.44
MAPT P10636 5/20 0.44
KDM4E B2RXH2 4/20 0.44
HPGD P15428 3/20 0.44
RXFP1 Q9HBX9 2/20 0.44
NPC1 O15118 5/20 0.44
RAB9A P51151 5/20 0.44
NPSR1 Q6W5P4 1/20 0.43
CYP2C19 P33261 1/20 0.43
NAPRT Q6XQN6 1/20 0.43
HSD17B10 Q99714 1/20 0.43
POLB P06746 2/20 0.42
TAAR1 Q96RJ0 1/20 0.42

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
SCHEMBL22505164 0.80 SMN1; SMN2 (0.49) SMN1; SMN2L3MBTL1HTTPTGS2NISCH
SCHEMBL24241499 0.80 SMN1; SMN2 (0.49) SMN1; SMN2L3MBTL1HTTPTGS2NISCH
SCHEMBL22505144 0.77 ALDH1A1 (0.44) SMN1; SMN2ALDH1A1MAPTKDM4EHPGD
SCHEMBL24534730 0.77 PTGS2 (0.50) SMN1; SMN2PTGS2KMT2AMEN1ALDH1A1
SCHEMBL6796040 0.76 CSNK2A2 (0.60) SMN1; SMN2KMT2AMEN1ALDH1A1MAPT
SCHEMBL6796043 0.76 CSNK2A2 (0.60) SMN1; SMN2KMT2AMEN1ALDH1A1MAPT
SCHEMBL24534659 0.74 SMN1; SMN2 (0.47) SMN1; SMN2L3MBTL1KMT2AMEN1ALDH1A1
SCHEMBL22505258 0.73 ALDH1A1 (0.41) SMN1; SMN2L3MBTL1HTTPTGS2KMT2A
SCHEMBL24534595 0.73 NPC1 (0.50) SMN1; SMN2L3MBTL1KMT2AMEN1ALDH1A1
SCHEMBL22505308 0.72 NOTUM (0.45) SMN1; SMN2L3MBTL1HTTPTGS2KMT2A

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-20220193041-A1 NOVEL COMPOUND AND METHOD FOR PREVENTING OR TREATING OF RESPIRATORY DISEASES COMPRISING THE SAME AS AN ACTIVE INGREDIENT Yonsei University, University - Industry Foundation (UIF) (KR) 2022-06-23 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-20220193041-A1 NOVEL COMPOUND AND METHOD FOR PREVENTING OR TREATING OF RESPIRATORY DISEASES COMPRISING THE SAME AS AN ACTIVE INGREDIENT EPX, CFTR, MPO SMN1; SMN2 1363/4885L3MBTL1 2378/4885HTT 2494/4885

“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.