SCHEMBL4257590

SCHEMBL4257590

CN1CCN(C2=C(Cl)C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BCL2A1 Q16548 13/20 1.00
ALDH1A1 P00352 3/20 1.00
MAPT P10636 3/20 1.00
ALOX12 P18054 2/20 1.00
RAD51 Q06609 2/20 1.00
LMNA P02545 1/20 1.00
BCL2 P10415 1/20 1.00
BID P55957 1/20 1.00
BCL2L1 Q07817 1/20 1.00
BCL2L2 Q92843 1/20 1.00
RAD1 O60671 1/20 0.71
GAA P10253 1/20 0.71
TSHR P16473 1/20 0.71
HTT P42858 1/20 0.71
SMN1; SMN2 Q16637 1/20 0.71

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
SCHEMBL13921056 0.89 BCL2A1 (0.80) BCL2A1ALDH1A1MAPTALOX12RAD51
SCHEMBL13982553 0.88 BCL2A1 (0.79) BCL2A1ALDH1A1MAPTALOX12RAD51
SCHEMBL13912151 0.87 BCL2A1 (0.77) BCL2A1ALDH1A1MAPTALOX12RAD51
SCHEMBL13912138 0.86 BCL2A1 (0.75) BCL2A1ALDH1A1MAPTALOX12RAD51
SCHEMBL13912158 0.85 BCL2A1 (1.00) BCL2A1ALDH1A1MAPTALOX12RAD51
SCHEMBL13186471 0.83 RAD51 (1.00) BCL2A1ALDH1A1MAPTALOX12RAD51
SCHEMBL13912142 0.83 BCL2A1 (1.00) BCL2A1ALDH1A1MAPTALOX12RAD51
SCHEMBL13912155 0.83 BCL2A1 (1.00) BCL2A1ALDH1A1MAPTALOX12RAD51
SCHEMBL13912146 0.82 BCL2A1 (1.00) BCL2A1ALDH1A1MAPTALOX12RAD51
SCHEMBL13912163 0.82 BCL2A1 (0.71) BCL2A1ALDH1A1MAPTALOX12RAD51

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
EP-4011367-A1 COMPOUNDS FOR USE IN THE TREATMENT OF COVID-19 Dompe' Farmaceutici S.P.A. (IT) 2022-06-15 EP claimed
US-20090069324-A1 CHEMICAL INHIBITORS OF BFL-1 AND RELATED METHODS THE BURNHAM INSTITUTE (US) 2009-03-12 US claimed
WO-2008157003-A2 CHEMICAL INHIBITORS OF BFL-1 AND RELATED METHODS THE BURNHAM INSTITUTE (US) 2008-12-24 WO claimed
EP-4011367-A1 COMPOUNDS FOR USE IN THE TREATMENT OF COVID-19 Dompe' Farmaceutici S.P.A. (IT) 2022-06-15 EP disclosed
US-10912761-B2 Methods and compositions involving RAD51 inhibitors THE UNIVERSITY OF CHICAGO (US) 2021-02-09 US disclosed
US-20150306069-A1 METHODS AND COMPOSITIONS INVOLVING RAD51 INHIBITORS THE UNIVERSITY OF CHICAGO (US) 2015-10-29 US disclosed
WO-2014085545-A1 METHODS AND COMPOSITIONS INVOLVING RAD51 INHIBITORS THE UNIVERSITY OF CHICAGO (US) 2014-06-05 WO disclosed
US-20090069324-A1 CHEMICAL INHIBITORS OF BFL-1 AND RELATED METHODS THE BURNHAM INSTITUTE (US) 2009-03-12 US disclosed
US-20090069324-A1 CHEMICAL INHIBITORS OF BFL-1 AND RELATED METHODS THE BURNHAM INSTITUTE (US) 2009-03-12 US disclosed
US-20090069324-A1 CHEMICAL INHIBITORS OF BFL-1 AND RELATED METHODS THE BURNHAM INSTITUTE (US) 2009-03-12 US disclosed
WO-2008157003-A2 CHEMICAL INHIBITORS OF BFL-1 AND RELATED METHODS THE BURNHAM INSTITUTE (US) 2008-12-24 WO disclosed
WO-2008157003-A2 CHEMICAL INHIBITORS OF BFL-1 AND RELATED METHODS THE BURNHAM INSTITUTE (US) 2008-12-24 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 (3 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-10912761-B2 Methods and compositions involving RAD51 inhibitors RAD51, MRE11, RAD50 BCL2A1 951/4885ALDH1A1 3973/4885MAPT 2482/4885
US-20090069324-A1 CHEMICAL INHIBITORS OF BFL-1 AND RELATED METHODS TMBIM6, BCL2L1, BCL2L11 BCL2A1 11/4885ALDH1A1 2702/4885MAPT 3995/4885
US-20150306069-A1 METHODS AND COMPOSITIONS INVOLVING RAD51 INHIBITORS RAD51, MRE11, RAD50 BCL2A1 951/4885ALDH1A1 3973/4885MAPT 2482/4885

“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.