SCHEMBL3752307

SCHEMBL3752307

CC(C)N1CCc2c(sc(NC(=O)C3CCCCC3)c2-c2nc3ccccc3s2)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 11/20 1.00
MEN1 O00255 3/20 0.75
KMT2A Q03164 3/20 0.75
KDM4E B2RXH2 2/20 0.75
HTT P42858 2/20 0.75
USP2 O75604 2/20 0.75
NPC1 O15118 1/20 0.75
POLB P06746 1/20 0.75
RECQL P46063 1/20 0.75
RAB9A P51151 1/20 0.75
BLM P54132 1/20 0.75
ALDH1A1 P00352 2/20 0.70
MAPT P10636 2/20 0.70
TP53 P04637 1/20 0.70
HPGD P15428 1/20 0.70
TSHR P16473 1/20 0.70
ATM Q13315 1/20 0.66
MYC P01106 1/20 0.61
UHRF1 Q96T88 2/20 0.60
RAD52 P43351 1/20 0.54

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
SCHEMBL13832369 0.99 APEX1 (0.98) APEX1MEN1KMT2AKDM4EHTT
SCHEMBL13832370 0.96 APEX1 (0.92) APEX1MEN1KMT2AKDM4EHTT
SCHEMBL1494945 0.89 APEX1 (0.80) APEX1MEN1KMT2AKDM4EHTT
SCHEMBL1494678 0.87 MAPT (0.92) APEX1MEN1KMT2AKDM4EHTT
SCHEMBL1494905 0.87 APEX1 (1.00) APEX1MEN1KMT2AKDM4EHTT
SCHEMBL13735656 0.85 APEX1 (0.83) APEX1MEN1KMT2AKDM4EHTT
SCHEMBL4727217 0.85 APEX1 (0.74) APEX1MEN1KMT2AKDM4EHTT
SCHEMBL13832373 0.84 APEX1 (1.00) APEX1MEN1KMT2AKDM4EHTT
SCHEMBL13734656 0.84 APEX1 (0.81) APEX1MEN1KMT2AKDM4EHTT
SCHEMBL13735474 0.84 APEX1 (1.00) APEX1MEN1KMT2AKDM4EHTT

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 7 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
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 (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 4756/4885MEN1 4716/4885KMT2A 4601/4885

“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.