SCHEMBL2796701

SCHEMBL2796701

COc1cc(OCCCBr)c(NC(C)=O)cc1Cl

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.52
NPSR1 Q6W5P4 2/20 0.47
LMNA P02545 1/20 0.47
TSHR P16473 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MAPT P10636 3/20 0.47
KDM4E B2RXH2 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
GAA P10253 1/20 0.45
HPGD P15428 1/20 0.45
CHEK1 O14757 1/20 0.44
BRD4 O60885 1/20 0.44

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
SCHEMBL2795203 0.93 ALDH1A1 (0.53) ALDH1A1NPSR1LMNATSHRL3MBTL1
SCHEMBL31222283 0.82 MAPT (0.47) ALDH1A1LMNAL3MBTL1MAPTKDM4E
SCHEMBL13229890 0.81 ALDH1A1 (0.45) ALDH1A1NPSR1LMNATSHRL3MBTL1
SCHEMBL4187570 0.79 ALDH1A1 (0.52) ALDH1A1NPSR1LMNAMAPTKDM4E
SCHEMBL2795100 0.78 GAA (0.51) ALDH1A1NPSR1LMNATSHRL3MBTL1
SCHEMBL2795656 0.77 ALDH1A1 (0.54) ALDH1A1LMNAMAPTSMN1; SMN2MEN1
SCHEMBL30668842 0.77 SMN1; SMN2 (0.67) ALDH1A1NPSR1LMNATSHRL3MBTL1
SCHEMBL9298896 0.77 SMN1; SMN2 (0.67) ALDH1A1NPSR1LMNATSHRL3MBTL1
SCHEMBL4751827 0.76 ALDH1A1 (0.49) ALDH1A1MAPTKDM4ESMN1; SMN2MEN1
SCHEMBL4751828 0.76 ALDH1A1 (0.49) ALDH1A1MAPTKDM4ESMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010077915-A1 NOVEL COMPOUNDS USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-07-08 WO disclosed
WO-2010077915-A1 NOVEL COMPOUNDS USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-07-08 WO disclosed
US-20100168080-A1 NOVEL COMPOUNDS USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS KHAMRAI UTTAM 2010-07-01 US disclosed
US-20100168080-A1 NOVEL COMPOUNDS USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS KHAMRAI UTTAM 2010-07-01 US disclosed
US-20100168080-A1 NOVEL COMPOUNDS USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS KHAMRAI UTTAM 2010-07-01 US 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-20100168080-A1 NOVEL COMPOUNDS USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS CCR1, CCR5, CCR3 ALDH1A1 1547/4885NPSR1 136/4885LMNA 4643/4885

“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.