SCHEMBL12358201

SCHEMBL12358201

C[C@@H](Cc1c[nH]c2ccccc12)C(=O)NN

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.70
KDM4E B2RXH2 3/20 0.70
POLB P06746 2/20 0.70
APAF1 O14727 1/20 0.70
RECQL P46063 1/20 0.70
L3MBTL1 Q9Y468 1/20 0.70
CTDSP1 Q9GZU7 1/20 0.63
ADRB1 P08588 1/20 0.60
HTR1A P08908 1/20 0.60
ADRA2A P08913 1/20 0.60
SLC6A2 P23975 1/20 0.60
HTR1D P28221 1/20 0.60
HTR1B P28222 1/20 0.60
HTR2A P28223 1/20 0.60
HTR2C P28335 1/20 0.60
HTR1E P28566 1/20 0.60
SLC6A4 P31645 1/20 0.60
HTR7 P34969 1/20 0.60
HTR2B P41595 1/20 0.60
HTR6 P50406 1/20 0.60

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
SCHEMBL12358205 1.00 MAPT (0.70) MAPTKDM4EPOLBAPAF1RECQL
SCHEMBL20713624 0.87 POLB (0.72) MAPTKDM4EPOLBAPAF1RECQL
SCHEMBL19687957 0.86 KDM4E (0.67) MAPTKDM4EPOLBAPAF1RECQL
SCHEMBL7854107 0.86 KDM4E (0.70) MAPTKDM4EPOLBAPAF1RECQL
SCHEMBL17017538 0.85 POLB (0.69) MAPTKDM4EPOLBAPAF1RECQL
SCHEMBL2250396 0.84 MAPT (0.72) MAPTKDM4EPOLBAPAF1RECQL
SCHEMBL2250392 0.84 MAPT (0.72) MAPTKDM4EPOLBAPAF1RECQL
SCHEMBL4666382 0.84 POLB (0.76) MAPTKDM4EPOLBAPAF1RECQL
SCHEMBL8266826 0.84 POLB (0.76) MAPTKDM4EPOLBAPAF1RECQL
SCHEMBL23380924 0.83 POLB (0.66) MAPTKDM4EPOLBAPAF1RECQL

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-20110207726-A1 Inhibitors of Human Cathepsin L, Cathepsin B, and Cathepsin S THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA 2011-08-25 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-20110207726-A1 Inhibitors of Human Cathepsin L, Cathepsin B, and Cathepsin S CTSB, CTSS, CTSV MAPT 2627/4885KDM4E 4162/4885POLB 1565/4885

“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.