SCHEMBL1547599

SCHEMBL1547599

Brc1ccc(Oc2ccc(OCc3ccccc3)nc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 4/20 0.53
ACACA Q13085 3/20 0.53
MAOB P27338 3/20 0.44
P4HTM Q9NXG6 1/20 0.43
GABRA5 P31644 2/20 0.43
AR P10275 1/20 0.43
GABRG2 P18507 1/20 0.43
GABRB3 P28472 1/20 0.43
GABRA3 P34903 1/20 0.43
FNTA P49354 1/20 0.42
PGGT1B P53609 1/20 0.42
APP P05067 1/20 0.41
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41
PTGS1 P23219 1/20 0.41
SLC6A2 P23975 1/20 0.41
CYP2C19 P33261 1/20 0.41
PTGS2 P35354 1/20 0.41
SLC6A3 Q01959 1/20 0.41
HIF1A Q16665 1/20 0.41

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
SCHEMBL1547807 0.85 ACACB (0.55) ACACBACACAMAOBP4HTMGABRA5
SCHEMBL13047644 0.85 ACACB (0.56) ACACBACACAP4HTMARLMNA
SCHEMBL510168 0.84 GABRA5 (0.52) MAOBGABRA5GABRG2GABRB3GABRA3
SCHEMBL29457401 0.84 GABRA5 (0.52) MAOBGABRA5GABRG2GABRB3GABRA3
SCHEMBL12717358 0.82 LMNA (0.60) MAOBARAPPLMNACYP1A2
SCHEMBL14638652 0.82 ACACB (0.49) ACACBACACAMAOBARAPP
SCHEMBL3759614 0.81 NR4A2 (0.63) ACACBACACAMAOBP4HTMMRGPRX4
SCHEMBL1772590 0.80 LTA4H (0.51) MAOBGABRA5GABRG2GABRB3GABRA3
SCHEMBL20406229 0.79 MEN1 (0.46) ACACBACACAP4HTMGABRA5GABRG2
SCHEMBL19984479 0.78 ACACB (0.55) ACACBACACAMAOBSMN1; SMN2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8470841-B2 Heterocyclic compounds, processes for their preparation, medicaments comprising these compounds, and the use thereof SANOFI (FR) 2013-06-25 US disclosed
US-20110183998-A1 HETEROCYCLIC COMPOUNDS, PROCESSES FOR THEIR PREPARATION, MEDICAMENTS COMPRISING THESE COMPOUNDS, AND THE USE THEREOF SANOFI-AVENTIS (FR) 2011-07-28 US disclosed
EP-2310372-A2 HETEROCYCLIC COMPOUNDS, PROCESSES FOR THEIR PREPARATION, MEDICAMENTS COMPRISING THESE COMPOUNDS, AND THE USE THEREOF Sanofi-Aventis (FR) 2011-04-20 EP disclosed
WO-2010003624-A2 HETEROCYCLIC COMPOUNDS, PROCESSES FOR THEIR PREPARATION, MEDICAMENTS COMPRISING THESE COMPOUNDS, AND THE USE THEREOF SANOFI-AVENTIS (FR) 2010-01-14 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-20110183998-A1 HETEROCYCLIC COMPOUNDS, PROCESSES FOR THEIR PREPARATION, MEDICAMENTS COMPRISING THESE COMPOUNDS, AND THE USE THEREOF CS, CYP11B1, GPR119 ACACB 1290/4885ACACA 1283/4885MAOB 126/4885

“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.