SCHEMBL1494752

SCHEMBL1494752

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

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 10/20 0.77
MEN1 O00255 3/20 0.76
KMT2A Q03164 3/20 0.76
KDM4E B2RXH2 3/20 0.76
USP2 O75604 2/20 0.76
HTT P42858 2/20 0.76
NPC1 O15118 2/20 0.76
POLB P06746 1/20 0.76
RECQL P46063 1/20 0.76
RAB9A P51151 1/20 0.76
BLM P54132 1/20 0.76
ATM Q13315 1/20 0.67
MYC P01106 1/20 0.61
UHRF1 Q96T88 2/20 0.61
ALDH1A1 P00352 3/20 0.57
MAPT P10636 3/20 0.57
RAD52 P43351 1/20 0.57
TP53 P04637 2/20 0.55
LMNA P02545 2/20 0.55
HPGD P15428 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
SCHEMBL3746867 0.90 APEX1 (0.75) APEX1MEN1KMT2AKDM4EUSP2
SCHEMBL13735656 0.88 APEX1 (0.83) APEX1MEN1KMT2AKDM4EUSP2
SCHEMBL1494905 0.87 APEX1 (1.00) APEX1MEN1KMT2AKDM4EUSP2
SCHEMBL1494854 0.87 LMNA (0.71) APEX1MEN1KMT2AKDM4EUSP2
SCHEMBL23528082 0.86 APEX1 (0.80) APEX1MEN1KMT2AKDM4EUSP2
SCHEMBL13832373 0.85 APEX1 (1.00) APEX1MEN1KMT2AKDM4EUSP2
SCHEMBL13734656 0.85 APEX1 (0.81) APEX1MEN1KMT2AKDM4EUSP2
SCHEMBL1495163 0.84 APEX1 (0.77) APEX1MEN1KMT2AKDM4EUSP2
SCHEMBL13832447 0.84 APEX1 (0.77) APEX1MEN1KMT2AKDM4EUSP2
SCHEMBL1495050 0.84 KDM4E (0.66) APEX1MEN1KMT2AKDM4EUSP2

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 5 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-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 4588/4885MEN1 2949/4885KMT2A 1623/4885

“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.