SCHEMBL1494731

SCHEMBL1494731

CN1CCc2c(sc(NC(=O)c3cccc(C(F)(F)F)c3)c2-c2nc3ccccc3s2)C1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UHRF1 Q96T88 2/20 0.69
APEX1 P27695 9/20 0.68
LMNA P02545 3/20 0.61
TP53 P04637 2/20 0.61
RXFP1 Q9HBX9 1/20 0.60
KDM4E B2RXH2 3/20 0.55
MEN1 O00255 2/20 0.55
HTT P42858 2/20 0.55
KMT2A Q03164 2/20 0.55
NPC1 O15118 2/20 0.55
USP2 O75604 2/20 0.55
POLB P06746 1/20 0.55
RECQL P46063 1/20 0.55
RAB9A P51151 1/20 0.55
BLM P54132 1/20 0.55
MYC P01106 1/20 0.54
ALDH1A1 P00352 2/20 0.52
MAPT P10636 2/20 0.52
HPGD P15428 1/20 0.52
TSHR P16473 1/20 0.52

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
SCHEMBL13833618 0.88 APEX1 (0.80) UHRF1APEX1LMNATP53RXFP1
SCHEMBL3753082 0.83 APEX1 (0.69) UHRF1APEX1LMNATP53RXFP1
SCHEMBL13812574 0.82 APEX1 (0.74) UHRF1APEX1LMNATP53RXFP1
SCHEMBL13735042 0.82 APEX1 (1.00) UHRF1APEX1LMNATP53RXFP1
SCHEMBL13833621 0.81 APEX1 (0.80) UHRF1APEX1LMNATP53RXFP1
SCHEMBL3757868 0.80 APEX1 (0.70) UHRF1APEX1LMNATP53RXFP1
Hydrochloric Acid SCHEMBL18953084 0.80 APEX1 (0.70) UHRF1APEX1LMNATP53RXFP1
SCHEMBL14209373 0.80 APEX1 (0.67) UHRF1APEX1LMNATP53RXFP1
SCHEMBL1292581 0.80 APEX1 (0.67) UHRF1APEX1LMNATP53RXFP1
SCHEMBL3746867 0.80 APEX1 (0.75) UHRF1APEX1LMNATP53RXFP1

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 12 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-20100298370-A1 BENZOTHIAZOLYL THIENOPYRIDINE DERIVATIVES AND USES THEREOF RIMONYX PHARMACEUTICALS LTD. (IL) 2010-11-25 US claimed
WO-2008020438-A2 BENZOTHIAZOLYL THIENOPYRIDINE DERIVATIVES AND USES THEREOF RIMONYX PHARMACEUTICALS LTD (IL) 2008-02-21 WO 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
US-20100298370-A1 BENZOTHIAZOLYL THIENOPYRIDINE DERIVATIVES AND USES THEREOF RIMONYX PHARMACEUTICALS LTD. (IL) 2010-11-25 US disclosed
US-20100298370-A1 BENZOTHIAZOLYL THIENOPYRIDINE DERIVATIVES AND USES THEREOF RIMONYX PHARMACEUTICALS LTD. (IL) 2010-11-25 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
WO-2008020438-A2 BENZOTHIAZOLYL THIENOPYRIDINE DERIVATIVES AND USES THEREOF RIMONYX PHARMACEUTICALS LTD (IL) 2008-02-21 WO disclosed
WO-2008020438-A2 BENZOTHIAZOLYL THIENOPYRIDINE DERIVATIVES AND USES THEREOF RIMONYX PHARMACEUTICALS LTD (IL) 2008-02-21 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-20100298370-A1 BENZOTHIAZOLYL THIENOPYRIDINE DERIVATIVES AND USES THEREOF HPSE, HDGF, HPGDS UHRF1 4279/4885APEX1 4756/4885LMNA 4715/4885
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 UHRF1 1139/4885APEX1 4588/4885LMNA 4566/4885

“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.