SCHEMBL1495050

SCHEMBL1495050

CCOC(=O)N1CCc2c(sc(NC(=O)c3cccs3)c2-c2nc3ccccc3s2)C1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.66
LMNA P02545 4/20 0.66
ALDH1A1 P00352 3/20 0.66
HTT P42858 3/20 0.66
NPSR1 Q6W5P4 2/20 0.66
HPGD P15428 2/20 0.66
ALOX12 P18054 1/20 0.66
CASP1 P29466 1/20 0.66
SMN1; SMN2 Q16637 1/20 0.66
HSD17B10 Q99714 1/20 0.66
MAPT P10636 3/20 0.61
NPC1 O15118 2/20 0.61
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
TP53 P04637 2/20 0.57
TSHR P16473 1/20 0.57
APEX1 P27695 8/20 0.56
USP2 O75604 2/20 0.55
POLB P06746 1/20 0.55
RECQL P46063 1/20 0.55

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
SCHEMBL3764137 0.89 MAPT (0.62) KDM4ELMNAALDH1A1HTTNPSR1
SCHEMBL1495005 0.88 MAPT (0.69) KDM4ELMNAALDH1A1HTTNPSR1
SCHEMBL1494835 0.88 APEX1 (0.72) KDM4ELMNAALDH1A1HTTNPSR1
SCHEMBL1494854 0.87 LMNA (0.71) KDM4ELMNAALDH1A1HTTNPSR1
SCHEMBL3746867 0.86 APEX1 (0.75) KDM4ELMNAALDH1A1HTTNPSR1
SCHEMBL1494887 0.85 MAPT (0.58) KDM4ELMNAALDH1A1HTTNPSR1
SCHEMBL1494752 0.84 APEX1 (0.77) KDM4ELMNAALDH1A1HTTNPSR1
SCHEMBL1494959 0.83 MAPT (0.56) KDM4ELMNAALDH1A1HTTNPSR1
SCHEMBL3746827 0.82 LMNA (0.60) KDM4ELMNAALDH1A1HTTNPSR1
SCHEMBL1292258 0.82 TP53 (0.58) KDM4ELMNAALDH1A1HTTNPSR1

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 KDM4E 2294/4885LMNA 4566/4885ALDH1A1 410/4885

“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.