SCHEMBL5004142

SCHEMBL5004142

O=CCOc1ccccc1Br

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 3/20 0.47
CTSK P43235 3/20 0.47
CTSL P07711 2/20 0.47
HTR7 P34969 1/20 0.47
RAB9A P51151 4/20 0.45
GRM4 Q14833 3/20 0.45
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
KDM4E B2RXH2 2/20 0.44
NPC1 O15118 3/20 0.41
LMNA P02545 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
HPGD P15428 3/20 0.41
HTT P42858 2/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPK1 P28482 1/20 0.41
HTR1A P08908 1/20 0.40
ADRA2A P08913 1/20 0.40
ADRA2B P18089 1/20 0.40
ADRA2C P18825 1/20 0.40

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
SCHEMBL930326 0.79 LIG1 (0.53) HTR7RAB9AGRM4KDM4ELMNA
SCHEMBL30216506 0.79 LIG1 (0.53) HTR7RAB9AGRM4KDM4ELMNA
SCHEMBL6337049 0.77 GAA (0.59) CTSSCTSKCTSLRAB9ANPC1
SCHEMBL669777 0.75 NPSR1 (0.51) CTSSCTSKCTSLRAB9AKMT2A
SCHEMBL5393569 0.75 CTSS (0.47) CTSSCTSKCTSLKMT2AKDM4E
SCHEMBL514349 0.75 CTSL (0.47) CTSSCTSKCTSLRAB9AKMT2A
SCHEMBL3946342 0.75 L3MBTL1 (0.53) CTSSCTSKCTSLLMNAALDH1A1
SCHEMBL10509104 0.75 LIG1 (0.53) CTSSCTSKCTSLKMT2AMEN1
SCHEMBL514581 0.75 CA1 (0.54) CTSSCTSKCTSLLMNASMN1; SMN2
SCHEMBL16339283 0.75 ALDH1A1 (0.73) CTSSCTSKCTSLKMT2AMEN1

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
WO-2014111871-A1 4,5-DIHYDROISOXAZOLE DERIVATIVES AS NAMPT INHIBITORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2014-07-24 WO disclosed
WO-2014111871-A1 4,5-DIHYDROISOXAZOLE DERIVATIVES AS NAMPT INHIBITORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2014-07-24 WO disclosed
EP-2009005-A1 AZOLECARBOXAMIDE DERIVATIVE Astellas Pharma Inc. (JP) 2008-12-31 EP disclosed
US-7414063-B2 Inhibitors of Akt (protein kinase B) ELI LILLY AND COMPANY (US) 2008-08-19 US disclosed
US-20070043040-A1 Inhibitors of akt (protein kinase b) ELI LILLY AND COMPANY 2007-02-22 US disclosed
EP-1611105-A1 ISOQUINOLINE-5-SULFONIC ACID AMIDES AS INHIBITORS OF AKT (PROTEIN KINASE B) ELI LILLY AND COMPANY (US) 2006-01-04 EP disclosed
WO-2004094386-A1 ISOQUINOLINE-5-SULFONIC ACID AMIDES AS INHIBITORS OF AKT (PROTEIN KINASE B) ELI LILLY AND COMPANY (US) 2004-11-04 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-20070043040-A1 Inhibitors of akt (protein kinase b) AKT1, AKT2, BRAF CTSS 2363/4885CTSK 1615/4885CTSL 2418/4885

“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.