SCHEMBL6429862

SCHEMBL6429862

NC(=O)c1cccc(N2CCC(Cc3ccccc3)CC2)c1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.60
TNKS O95271 1/20 0.57
PARP1 P09874 1/20 0.57
PARP14 Q460N5 1/20 0.57
OPRM1 P35372 1/20 0.55
OPRD1 P41143 1/20 0.55
OPRK1 P41145 1/20 0.55
KCNH2 Q12809 1/20 0.55
SLC6A2 P23975 2/20 0.54
SLC6A4 P31645 2/20 0.54
BRCA1 P38398 1/20 0.49
RAB9A P51151 1/20 0.49
MAPT P10636 1/20 0.49
HTT P42858 1/20 0.49
GFER P55789 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
F2 P00734 1/20 0.48
F10 P00742 1/20 0.48
PRSS1 P07477 1/20 0.48

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
SCHEMBL6428994 0.86 GAA (0.70) GAASLC6A2SLC6A4MAPTHTT
SCHEMBL6429226 0.82 SLC6A2 (0.56) GAASLC6A2SLC6A4BRCA1MAPT
SCHEMBL7241082 0.80 SLC6A2 (0.71) SLC6A2SLC6A4MAPTHTTSMN1; SMN2
SCHEMBL14507628 0.79 NOTUM (0.57) GAATNKSPARP1PARP14
SCHEMBL12367090 0.79 ALDH1A1 (0.53) GAATNKSPARP1PARP14
SCHEMBL6428902 0.78 DRD2 (0.66) OPRK1SMN1; SMN2
SCHEMBL2952169 0.78 MEN1 (0.65) GAASLC6A2SLC6A4MAPT
SCHEMBL5889215 0.78 ALDH1A1 (0.58) GAASLC6A2SLC6A4RAB9AMAPT
SCHEMBL6798321 0.77 GAA (0.55) GAATNKSPARP1PARP14OPRM1
SCHEMBL5204340 0.77 MEN1 (0.46) GAABRCA1MAPTHTT

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-20050222408-A1 Heterocyclic amides with anti-tuberculosis activity UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION 2005-10-06 US disclosed
WO-2005007625-A2 HETEROCYCLIC AMIDES WITH ANTI-TUBERCULOSIS ACTIVITY THE UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2005-01-27 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-20050222408-A1 Heterocyclic amides with anti-tuberculosis activity TST, KAT5, NDUFS5 GAA 4048/4885TNKS 4352/4885PARP1 4805/4885

“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.