SCHEMBL17469576

SCHEMBL17469576

CC(=O)Cn1nnc2c1-c1ccccc1CN(C(C)=O)c1ccccc1-2

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 3/20 0.44
HSD17B3 P37058 12/20 0.43
SMN1; SMN2 Q16637 2/20 0.36
KDM4E B2RXH2 1/20 0.36
HTT P42858 1/20 0.36
IDO1 P14902 2/20 0.36
TDO2 P48775 2/20 0.36
ALDH1A1 P00352 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
SCHEMBL17469577 0.95 HSD17B3 (0.46) NOTUMHSD17B3SMN1; SMN2KDM4EHTT
SCHEMBL23027271 0.89 NOTUM (0.45) NOTUMHSD17B3SMN1; SMN2KDM4EHTT
SCHEMBL16204540 0.85 NOTUM (0.48) NOTUMHSD17B3SMN1; SMN2KDM4EHTT
SCHEMBL15606230 0.85 HSD17B3 (0.47) NOTUMHSD17B3SMN1; SMN2KDM4EHTT
SCHEMBL23695165 0.83 NOTUM (0.38) NOTUMHSD17B3SMN1; SMN2KDM4EHTT
SCHEMBL25015342 0.82 NOTUM (0.47) NOTUMHSD17B3SMN1; SMN2KDM4EHTT
SCHEMBL24349696 0.81 NOTUM (0.46) NOTUMHSD17B3
SCHEMBL14887434 0.81 HSD17B3 (0.50) NOTUMHSD17B3SMN1; SMN2KDM4EHTT
SCHEMBL17903051 0.81 SMN1; SMN2 (0.49) NOTUMHSD17B3SMN1; SMN2KDM4EHTT
SCHEMBL24433197 0.80 LMNA (0.42)

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-20170008950-A1 HYBRID IMMUNOGLOBULIN CONTAINING NON-PEPTIDYL LINKAGE BIOMOLECULAR HOLDINGS LLC 2017-01-12 US disclosed
US-20160024226-A1 HYBRID IMMUNOGLOBULIN CONTAINING NON-PEPTIDYL LINKAGE BIOMOLECULAR HOLDINGS LLC 2016-01-28 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 (2 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-20160024226-A1 HYBRID IMMUNOGLOBULIN CONTAINING NON-PEPTIDYL LINKAGE FCGR3B, FCGR2A, VSIG8 NOTUM 1849/4885HSD17B3 4060/4885SMN1; SMN2 4483/4885
US-20170008950-A1 HYBRID IMMUNOGLOBULIN CONTAINING NON-PEPTIDYL LINKAGE FCGR3B, SCLY, FCGR2A NOTUM 870/4885HSD17B3 3106/4885SMN1; SMN2 4390/4885

“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.