SCHEMBL2250396

SCHEMBL2250396

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

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.72
KDM4E B2RXH2 2/20 0.72
KMT2A Q03164 2/20 0.72
MEN1 O00255 1/20 0.72
LMNA P02545 1/20 0.72
MPO P05164 1/20 0.72
TSHR P16473 1/20 0.72
BLM P54132 1/20 0.72
PMP22 Q01453 1/20 0.72
HIF1A Q16665 1/20 0.72
KRAS P01116 1/20 0.60
SOS1 Q07889 1/20 0.60
ALDH1A1 P00352 1/20 0.58
GAA P10253 1/20 0.58
HTR2A P28223 2/20 0.57
ADRB1 P08588 1/20 0.57
HTR1A P08908 1/20 0.57
ADRA2A P08913 1/20 0.57
SLC6A2 P23975 1/20 0.57
HTR1D P28221 1/20 0.57

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
SCHEMBL2250392 1.00 MAPT (0.72) MAPTKDM4EKMT2AMEN1LMNA
SCHEMBL27640891 0.89 KDM4E (0.72) MAPTKDM4EKMT2AMEN1LMNA
SCHEMBL1069904 0.89 KDM4E (0.72) MAPTKDM4EKMT2AMEN1LMNA
SCHEMBL4120269 0.87 KDM4E (0.70) MAPTKDM4EKMT2AMEN1LMNA
SCHEMBL876693 0.87 KDM4E (0.70) MAPTKDM4EKMT2AMEN1LMNA
SCHEMBL29850214 0.87 KDM4E (0.70) MAPTKDM4EKMT2AMEN1LMNA
SCHEMBL631048 0.87 KDM4E (0.70) MAPTKDM4EKMT2AMEN1LMNA
SCHEMBL22567130 0.87 KDM4E (0.70) MAPTKDM4EKMT2AMEN1LMNA
Hydrochloric Acid SCHEMBL8398299 0.86 KDM4E (0.68) MAPTKDM4EKMT2AMEN1LMNA
Hydrochloric Acid SCHEMBL27780592 0.86 KDM4E (0.68) MAPTKDM4EKMT2AMEN1LMNA

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 4 patents. 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
WO-2009136997-A2 INHIBITORS OF HUMAN CATHEPSIN L, CATHEPSIN B, AND CATHEPSIN S THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2009-11-12 WO disclosed
EP-0753004-A1 ANTAGONISTS OF ENDOTHELIN RECEPTORS Japat Ltd (CH) 1997-01-15 EP disclosed
WO-1995026360-A1 ANTAGONISTS OF ENDOTHELIN RECEPTORS JAPAT LTD. (CH) 1995-10-05 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-20110207726-A1 Inhibitors of Human Cathepsin L, Cathepsin B, and Cathepsin S CTSB, CTSS, CTSV MAPT 2627/4885KDM4E 4162/4885KMT2A 3938/4885

“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.