SCHEMBL533873

SCHEMBL533873

COCCOc1ccc(Br)c(CBr)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 3/20 0.41
HTR1A P08908 2/20 0.41
CYP2D6 P10635 2/20 0.41
MAOB P27338 2/20 0.37
FBP1 P09467 1/20 0.37
MAOA P21397 1/20 0.37
DYRK1A Q13627 1/20 0.37
CHEK2 O96017 1/20 0.36
NPC1 O15118 1/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
BRD4 O60885 1/20 0.35
CCL2 P13500 1/20 0.35
PDIA6 Q15084 1/20 0.35
APP P05067 1/20 0.35
KDM4E B2RXH2 2/20 0.34
RECQL P46063 1/20 0.34
MAPK1 P28482 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL8259521 0.86 SLC6A4 (0.41) SLC6A4HTR1ACYP2D6MAOBFBP1
SCHEMBL8257155 0.85 SLC6A4 (0.40) SLC6A4HTR1ACYP2D6MAOBFBP1
SCHEMBL533960 0.83 CYP2D6 (0.42) SLC6A4HTR1ACYP2D6MAOBFBP1
SCHEMBL661988 0.81 L3MBTL1 (0.47) SLC6A4HTR1ACYP2D6MAOBKDM4E
SCHEMBL2292626 0.80 NQO1 (0.48) SLC6A4HTR1ACYP2D6NPC1MAPT
SCHEMBL534207 0.80 SLC6A4 (0.40) SLC6A4HTR1ACYP2D6FBP1CHEK2
SCHEMBL1058869 0.80 HTR2A (0.44) SLC6A4HTR1A
SCHEMBL534650 0.79 SMN1; SMN2 (0.51) MAOADYRK1ANPC1MAPTRAB9A
SCHEMBL8226162 0.77 NSD2 (0.44) SLC6A4HTR1ACYP2D6FBP1MAOA
SCHEMBL22638161 0.77 MAPK1 (0.44) SLC6A4FBP1MAOADYRK1ACHEK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120035214-A1 RENIN INHIBITORS MERCK CANADA INC. (CA) 2012-02-09 US disclosed
EP-2413941-A1 RENIN INHIBITORS Merck Sharp & Dohme Corp. (US) 2012-02-08 EP disclosed
WO-2010114978-A1 RENIN INHIBITORS MERCK SHARP & DOHME CORP. (US) 2010-10-07 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-20120035214-A1 RENIN INHIBITORS REN, ACE, AGTR1 SLC6A4 2645/4885HTR1A 3606/4885CYP2D6 422/4885

“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.