SCHEMBL16129355

SCHEMBL16129355

O=C(O)Cc1nc2c(s1)CN(Cc1ccccc1)CC2

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.61
GAA P10253 6/20 0.61
KDM4E B2RXH2 6/20 0.61
RAB9A P51151 5/20 0.61
SMN1; SMN2 Q16637 5/20 0.61
KMT2A Q03164 5/20 0.61
NPC1 O15118 3/20 0.61
MAPK1 P28482 1/20 0.61
MAPT P10636 5/20 0.60
MEN1 O00255 4/20 0.58
CASP1 P29466 1/20 0.53
CASP7 P55210 1/20 0.53
ADORA1 P30542 2/20 0.51
PTPN2 P17706 1/20 0.47
PTPN1 P18031 1/20 0.47
POLB P06746 2/20 0.46
HPGD P15428 1/20 0.46
BLM P54132 1/20 0.46
RUNX1 Q01196 1/20 0.46
MCL1 Q07820 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
SCHEMBL28483068 0.81 RAD52 (0.42) ALDH1A1GAAKDM4ERAB9ASMN1; SMN2
SCHEMBL16129354 0.80 ALDH1A1 (0.53) ALDH1A1GAAKDM4ERAB9ASMN1; SMN2
SCHEMBL16129357 0.80 LIPG (0.54) ALDH1A1GAAKDM4ERAB9ASMN1; SMN2
SCHEMBL17934007 0.79 RAD52 (0.61) ALDH1A1GAAKDM4ERAB9ASMN1; SMN2
SCHEMBL12680943 0.79 RAB9A (0.60) ALDH1A1GAAKDM4ERAB9ASMN1; SMN2
SCHEMBL16129356 0.75 ALDH1A1 (0.52) ALDH1A1GAAKDM4ERAB9ASMN1; SMN2
SCHEMBL3536301 0.74 GAA (0.69) ALDH1A1GAAKDM4ERAB9ASMN1; SMN2
SCHEMBL12199721 0.72 RAB9A (0.53) ALDH1A1GAAKDM4ERAB9ASMN1; SMN2
SCHEMBL158425 0.72 GRM5 (0.53) ALDH1A1GAAKDM4ERAB9ASMN1; SMN2
SCHEMBL28483267 0.72 DRD3 (0.38) GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8957219-B2 Acetic acid amide derivative having inhibitory activity on endothelial lipase SHIONOGI & CO., LTD. (JP) 2015-02-17 US disclosed
EP-2351744-B1 ACETIC ACID AMIDE DERIVATIVE HAVING INHIBITORY ACTIVITY ON VASCULAR ENDOTHELIAL LIPASE SHIONOGI & CO (JP) 2015-01-07 EP disclosed
US-20140288302-A1 ACETIC ACID AMIDE DERIVATIVE HAVING INHIBITORY ACTIVITY ON ENDOTHELIAL LIPASE SHIONOGI & CO., LTD. (JP) 2014-09-25 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-20140288302-A1 ACETIC ACID AMIDE DERIVATIVE HAVING INHIBITORY ACTIVITY ON ENDOTHELIAL LIPASE LIPG, CEL, FFAR3 ALDH1A1 905/4885GAA 1078/4885KDM4E 2020/4885

“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.