SCHEMBL1495045

SCHEMBL1495045

CN1CCc2c(sc(NC(=O)C3CC3)c2-c2nc3ccccc3s2)C1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.80
MAPT P10636 3/20 0.80
TP53 P04637 2/20 0.80
MEN1 O00255 2/20 0.80
HTT P42858 2/20 0.80
KMT2A Q03164 2/20 0.80
ALDH1A1 P00352 2/20 0.80
HPGD P15428 1/20 0.80
TSHR P16473 1/20 0.80
APEX1 P27695 10/20 0.79
UHRF1 Q96T88 1/20 0.70
LMNA P02545 3/20 0.69
RXFP1 Q9HBX9 1/20 0.65
MYC P01106 1/20 0.61
NPC1 O15118 2/20 0.61
USP2 O75604 2/20 0.61
POLB P06746 1/20 0.61
RECQL P46063 1/20 0.61
RAB9A P51151 1/20 0.61
BLM P54132 1/20 0.61

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
Hydrochloric Acid SCHEMBL14777452 0.99 KDM4E (0.79) KDM4EMAPTTP53MEN1HTT
SCHEMBL1494945 0.95 APEX1 (0.80) KDM4EMAPTTP53MEN1HTT
SCHEMBL13735042 0.88 APEX1 (1.00) KDM4EMAPTTP53MEN1HTT
SCHEMBL13832370 0.88 APEX1 (0.92) KDM4EMAPTTP53MEN1HTT
SCHEMBL13833677 0.88 KDM4E (0.76) KDM4EMAPTTP53MEN1HTT
SCHEMBL1495006 0.88 APEX1 (0.80) KDM4EMAPTTP53MEN1HTT
SCHEMBL13833621 0.86 APEX1 (0.80) KDM4EMAPTTP53MEN1HTT
SCHEMBL13833618 0.86 APEX1 (0.80) KDM4EMAPTTP53MEN1HTT
SCHEMBL13833818 0.85 KDM4E (0.80) KDM4EMAPTTP53MEN1HTT
SCHEMBL1494678 0.85 MAPT (0.92) KDM4EMAPTTP53MEN1HTT

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 9 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-20130072473-A1 COMPOUNDS FOR TREATING PROTEIN FOLDING DISORDERS PROTEOSTASIS THERAPEUTICS, INC. 2013-03-21 US disclosed
US-20130072473-A1 COMPOUNDS FOR TREATING PROTEIN FOLDING DISORDERS PROTEOSTASIS THERAPEUTICS, INC. 2013-03-21 US disclosed
US-20130072473-A1 COMPOUNDS FOR TREATING PROTEIN FOLDING DISORDERS PROTEOSTASIS THERAPEUTICS, INC. 2013-03-21 US disclosed
WO-2012154888-A1 COMPOUNDS FOR TREATING PROTEIN FOLDING DISORDERS PROTEOSTASIS THERAPEUTICS, INC. (US) 2012-11-15 WO 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 (2 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-20130072473-A1 COMPOUNDS FOR TREATING PROTEIN FOLDING DISORDERS HSPA5, PSMG3, VCP KDM4E 3155/4885MAPT 221/4885TP53 300/4885
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 2294/4885MAPT 3985/4885TP53 1151/4885

“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.