SCHEMBL3751269

SCHEMBL3751269

CC(C)N1CCc2c(sc(NC(=O)CCc3ccccc3)c2-c2nc3ccccc3s2)C1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 10/20 0.80
USP2 O75604 2/20 0.74
KDM4E B2RXH2 2/20 0.74
NPC1 O15118 2/20 0.74
MEN1 O00255 1/20 0.74
POLB P06746 1/20 0.74
HTT P42858 1/20 0.74
RECQL P46063 1/20 0.74
RAB9A P51151 1/20 0.74
BLM P54132 1/20 0.74
KMT2A Q03164 1/20 0.74
ATM Q13315 1/20 0.65
ALDH1A1 P00352 2/20 0.64
L3MBTL1 Q9Y468 1/20 0.64
UHRF1 Q96T88 2/20 0.62
MAPT P10636 1/20 0.62
NPSR1 Q6W5P4 1/20 0.62
LMNA P02545 3/20 0.60
TP53 P04637 1/20 0.60
MYC P01106 1/20 0.60

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
SCHEMBL13832447 0.92 APEX1 (0.77) APEX1USP2KDM4ENPC1MEN1
SCHEMBL18293204 0.90 APEX1 (0.76) APEX1USP2KDM4ENPC1MEN1
SCHEMBL13832537 0.89 APEX1 (1.00) APEX1USP2KDM4ENPC1MEN1
SCHEMBL18293200 0.89 APEX1 (0.81) APEX1USP2KDM4ENPC1MEN1
SCHEMBL18293187 0.89 APEX1 (0.81) APEX1USP2KDM4ENPC1MEN1
SCHEMBL18293191 0.89 APEX1 (0.78) APEX1USP2KDM4ENPC1MEN1
SCHEMBL18285877 0.88 APEX1 (0.80) APEX1USP2KDM4ENPC1MEN1
SCHEMBL13832391 0.88 APEX1 (0.86) APEX1USP2KDM4ENPC1MEN1
SCHEMBL23528082 0.88 APEX1 (0.80) APEX1USP2KDM4ENPC1MEN1
SCHEMBL18285972 0.88 APEX1 (0.77) APEX1USP2KDM4ENPC1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
WO-2012148889-A1 INHIBITORS OF HUMAN APURINIC/APYRIMIDINIC ENDONUCLEASE 1 THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2012-11-01 WO disclosed
WO-2012148889-A1 INHIBITORS OF HUMAN APURINIC/APYRIMIDINIC ENDONUCLEASE 1 THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2012-11-01 WO 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
US-20100298370-A1 BENZOTHIAZOLYL THIENOPYRIDINE DERIVATIVES AND USES THEREOF RIMONYX PHARMACEUTICALS LTD. (IL) 2010-11-25 US 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 (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-20100298370-A1 BENZOTHIAZOLYL THIENOPYRIDINE DERIVATIVES AND USES THEREOF HPSE, HDGF, HPGDS APEX1 4756/4885USP2 3492/4885KDM4E 3176/4885

“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.