SCHEMBL1494835

SCHEMBL1494835

CCOC(=O)N1CCc2c(sc(NC(C)=O)c2-c2nc3ccccc3s2)C1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 9/20 0.72
KDM4E B2RXH2 3/20 0.68
NPC1 O15118 2/20 0.68
MEN1 O00255 2/20 0.68
HTT P42858 2/20 0.68
KMT2A Q03164 2/20 0.68
USP2 O75604 2/20 0.68
POLB P06746 1/20 0.68
RECQL P46063 1/20 0.68
RAB9A P51151 1/20 0.68
BLM P54132 1/20 0.68
MAPT P10636 3/20 0.68
ALDH1A1 P00352 2/20 0.68
NPSR1 Q6W5P4 1/20 0.68
TP53 P04637 2/20 0.66
HPGD P15428 1/20 0.66
TSHR P16473 1/20 0.66
UHRF1 Q96T88 2/20 0.65
ATM Q13315 1/20 0.61
LMNA P02545 2/20 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
SCHEMBL1495005 0.92 MAPT (0.69) APEX1KDM4ENPC1MEN1HTT
SCHEMBL3764137 0.91 MAPT (0.62) APEX1KDM4ENPC1MEN1HTT
SCHEMBL13736000 0.89 KDM4E (0.81) APEX1KDM4ENPC1MEN1HTT
SCHEMBL13832432 0.89 APEX1 (0.71) APEX1KDM4ENPC1MEN1HTT
SCHEMBL1495050 0.88 KDM4E (0.66) APEX1KDM4ENPC1MEN1HTT
SCHEMBL13833650 0.87 APEX1 (0.69) APEX1KDM4ENPC1MEN1HTT
SCHEMBL1494887 0.87 MAPT (0.58) APEX1KDM4ENPC1MEN1HTT
SCHEMBL13833590 0.85 APEX1 (0.77) APEX1KDM4ENPC1MEN1HTT
SCHEMBL31166116 0.85 MAPT (0.61) APEX1KDM4ENPC1MEN1HTT
SCHEMBL1494959 0.85 MAPT (0.56) APEX1KDM4ENPC1MEN1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110053915-A1 HETEROCYCLIC INHIBITORS OF AN Hh-SIGNAL CASCADE, MEDICINAL COMPOSITIONS BASED THEREON AND METHODS FOR TREATING DISEASES CAUSED BY THE ABERRANT ACTIVITY OF AN Hh-SIGNAL SYSTEM ALLA CHEM, LLC (US) 2011-03-03 US claimed
US-8486945-B2 Heterocyclic inhibitors of an Hh-signal cascade, medicinal compositions based thereon and methods for treating diseases caused by the aberrant activity of an Hh-signal system Ivachtchenko, Alexandre Vasilievich (US) 2013-07-16 US disclosed
US-8486945-B2 Heterocyclic inhibitors of an Hh-signal cascade, medicinal compositions based thereon and methods for treating diseases caused by the aberrant activity of an Hh-signal system Ivachtchenko, Alexandre Vasilievich (US) 2013-07-16 US disclosed
US-20110053915-A1 HETEROCYCLIC INHIBITORS OF AN Hh-SIGNAL CASCADE, MEDICINAL COMPOSITIONS BASED THEREON AND METHODS FOR TREATING DISEASES CAUSED BY THE ABERRANT ACTIVITY OF AN Hh-SIGNAL SYSTEM ALLA CHEM, LLC (US) 2011-03-03 US disclosed
US-20110053915-A1 HETEROCYCLIC INHIBITORS OF AN Hh-SIGNAL CASCADE, MEDICINAL COMPOSITIONS BASED THEREON AND METHODS FOR TREATING DISEASES CAUSED BY THE ABERRANT ACTIVITY OF AN Hh-SIGNAL SYSTEM ALLA CHEM, LLC (US) 2011-03-03 US disclosed
WO-2009077956-A2 HETEROCYCLIC INHIBITORS OF AN Hh-SIGNAL CASCADE, MEDICINAL COMPOSITIONS BASED THEREON AND METHODS FOR TREATING DISEASES CAUSED BY THE ABERRANT ACTIVITY OF AN Hh-SIGNAL SYSTEM ALLA CHEM, LLC (US) 2009-06-25 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-20110053915-A1 HETEROCYCLIC INHIBITORS OF AN Hh-SIGNAL CASCADE, MEDICINAL COMPOSITIONS BASED THEREON AND METHODS FOR TREATING DISEASES CAUSED BY THE ABERRANT ACTIVITY OF AN Hh-SIGNAL SYSTEM SHH, SMO, GLI1 APEX1 4588/4885KDM4E 2294/4885NPC1 1768/4885

“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.