SCHEMBL4434864

SCHEMBL4434864

Brc1ccc(Br)c(OCc2ccccc2)c1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.56
MAOB P27338 2/20 0.56
CCR5 P51681 5/20 0.52
ALDH1A1 P00352 2/20 0.51
RAB9A P51151 2/20 0.51
USP28 Q96RU2 1/20 0.51
USP25 Q9UHP3 1/20 0.51
HTT P42858 2/20 0.50
PTGER1 P34995 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
MAPT P10636 1/20 0.47
MAPK1 P28482 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
LMNA P02545 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
SCHEMBL13321698 0.89 MAOB (0.55) SLC6A4MAOBCCR5ALDH1A1RAB9A
SCHEMBL368071 0.87 SLC6A4 (0.66) SLC6A4MAOBCCR5ALDH1A1RAB9A
SCHEMBL31644088 0.87 SLC6A4 (0.66) SLC6A4MAOBCCR5ALDH1A1RAB9A
SCHEMBL18124297 0.87 F2 (0.48) SLC6A4MAOBCCR5ALDH1A1RAB9A
Bromide SCHEMBL15137373 0.85 F2 (0.47) SLC6A4MAOBCCR5ALDH1A1RAB9A
SCHEMBL30835101 0.85 RAB9A (0.59) SLC6A4MAOBCCR5ALDH1A1RAB9A
SCHEMBL7898169 0.85 RAB9A (0.59) SLC6A4MAOBCCR5ALDH1A1RAB9A
SCHEMBL30628889 0.84 MAOB (0.59) MAOBRAB9ASMN1; SMN2MAPTL3MBTL1
SCHEMBL31444115 0.84 LMNA (0.52) MAOBALDH1A1RAB9ASMN1; SMN2MAPT
SCHEMBL5951406 0.84 LMNA (0.52) MAOBALDH1A1RAB9ASMN1; SMN2MAPT

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-20090186834-A1 DIPHENYLHETEROCYCLE CHOLESTEROL ABSORPTION INHIBITORS MICROBIA, INC. (US) 2009-07-23 US disclosed
WO-2008039829-A2 DIPHENYLHETEROCYCLE CHOLESTEROL ABSORPTION INHIBITORS IRONWOOD PHARMACEUTICALS, INC. (US) 2008-04-03 WO disclosed
WO-2006102674-A2 DIPHENYLHETEROCYCLE CHOLESTEROL ABSORPTION INHIBITORS MICROBIA, INC. (US) 2006-09-28 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-20090186834-A1 DIPHENYLHETEROCYCLE CHOLESTEROL ABSORPTION INHIBITORS NPC1L1, CYP46A1, NPC1 SLC6A4 3627/4885MAOB 1740/4885CCR5 1774/4885

“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.