SCHEMBL874939

SCHEMBL874939

CC(=O)c1coc2ccc(Br)cc2c1=O

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.56
HTT P42858 2/20 0.56
PTPN1 P18031 1/20 0.55
MAOB P27338 12/20 0.50
MAOA P21397 3/20 0.50
CA12 O43570 1/20 0.48
CA9 Q16790 1/20 0.48
MEN1 O00255 1/20 0.47
MAPT P10636 1/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CASP3 P42574 1/20 0.47
SENP8 Q96LD8 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
SENP6 Q9GZR1 1/20 0.47

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
SCHEMBL17344322 0.89 ALDH1A1 (0.62) ALDH1A1HTTPTPN1MAOBMAOA
SCHEMBL3344909 0.86 MAOB (0.61) ALDH1A1HTTPTPN1MAOBMAOA
SCHEMBL3350981 0.84 MAOB (0.65) ALDH1A1HTTPTPN1MAOBMAOA
SCHEMBL26054504 0.84 PTPN1 (0.51) ALDH1A1HTTPTPN1MAOBMAOA
SCHEMBL4519275 0.77 MAOB (0.72) MAOBMAOA
SCHEMBL6840630 0.77 CASP3 (0.55) ALDH1A1HTTPTPN1MAOBMAOA
SCHEMBL17734362 0.77 PTPN1 (0.61) ALDH1A1HTTPTPN1MAOBMAOA
SCHEMBL8712698 0.76 MAOB (0.59) ALDH1A1HTTPTPN1MAOBMAOA
SCHEMBL10423092 0.76 CASP3 (0.54) ALDH1A1HTTPTPN1MAOBMAOA
SCHEMBL3044852 0.75 ALDH1A1 (0.56) ALDH1A1HTTPTPN1MAOACA12

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-20120157448-A1 COMPOUNDS FOR TREATING NEURODEGENERATIVE DISEASES GENENTECH, INC. 2012-06-21 US disclosed
US-20120157448-A1 COMPOUNDS FOR TREATING NEURODEGENERATIVE DISEASES GENENTECH, INC. 2012-06-21 US disclosed
US-20120157448-A1 COMPOUNDS FOR TREATING NEURODEGENERATIVE DISEASES GENENTECH, INC. 2012-06-21 US disclosed
WO-2012071458-A1 HETEROCYCLIC INHIBITORS OF BETA - SECRETASE FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES ARRAY BIOPHARMA INC. (US) 2012-05-31 WO disclosed
WO-2012071458-A1 HETEROCYCLIC INHIBITORS OF BETA - SECRETASE FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES ARRAY BIOPHARMA INC. (US) 2012-05-31 WO disclosed
US-20120083501-A1 COMPOUNDS FOR TREATING NEURODEGENERATIVE DISEASES ARRAY BIOPHARMA INC. 2012-04-05 US disclosed
WO-2012040641-A2 COMPOUNDS FOR TREATING NEURODEGENERATIVE DISEASES ARRAY BIOPHARMA INC. (US) 2012-03-29 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-20120157448-A1 COMPOUNDS FOR TREATING NEURODEGENERATIVE DISEASES BACE1, PSEN1, PSEN2 ALDH1A1 2346/4885HTT 30/4885PTPN1 4730/4885
US-20120083501-A1 COMPOUNDS FOR TREATING NEURODEGENERATIVE DISEASES BACE1, PSEN1, PSEN2 ALDH1A1 2346/4885HTT 30/4885PTPN1 4730/4885

“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.