SCHEMBL1191389

SCHEMBL1191389

O=C(c1ccc(O[Br+2]([O-])[O-])c(Cl)c1)N1CCOc2cnccc21

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 4/20 0.47
SLC22A12 Q96S37 7/20 0.46
SLC22A6 Q4U2R8 1/20 0.46
SLC22A8 Q8TCC7 1/20 0.46
POLB P06746 1/20 0.43
NR3C2 P08235 1/20 0.37
IDO1 P14902 1/20 0.36
KCNH2 Q12809 1/20 0.36
RXFP1 Q9HBX9 1/20 0.34
RORC P51449 1/20 0.34
CTSD P07339 1/20 0.34
CCNK O75909 2/20 0.34
CDK12 Q9NYV4 2/20 0.34
NAAA Q02083 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
SCHEMBL1191481 0.92 SLC22A12 (0.56) GPBAR1SLC22A12SLC22A6SLC22A8POLB
SCHEMBL1191177 0.89 SLC22A12 (0.54) GPBAR1SLC22A12SLC22A6SLC22A8POLB
SCHEMBL1191293 0.89 SLC22A12 (0.51) GPBAR1SLC22A12SLC22A6SLC22A8POLB
SCHEMBL1191142 0.87 GPBAR1 (0.48) GPBAR1SLC22A12SLC22A6SLC22A8POLB
SCHEMBL1191387 0.84 SLC22A12 (0.50) GPBAR1SLC22A12SLC22A6SLC22A8POLB
SCHEMBL1191018 0.82 SLC22A12 (0.55) GPBAR1SLC22A12SLC22A6SLC22A8POLB
SCHEMBL1191290 0.82 SLC22A12 (0.57) GPBAR1SLC22A12SLC22A6SLC22A8POLB
SCHEMBL1191396 0.82 SLC22A12 (0.44) GPBAR1SLC22A12SLC22A6SLC22A8POLB
Bromide SCHEMBL1191225 0.81 SLC22A12 (0.54) GPBAR1SLC22A12SLC22A6SLC22A8POLB
SCHEMBL1190585 0.81 SLC22A12 (0.66) GPBAR1SLC22A12SLC22A6SLC22A8POLB

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
EP-2266989-A2 HETEROCYCLIC DERIVATIVES C&c Research Laboratories (KR) 2010-12-29 EP claimed
US-8394792-B2 Heterocyclic derivatives C&C RESEARCH LABORATORIES (KR) 2013-03-12 US disclosed
US-20110028467-A1 HETEROCYCLIC DERIVATIVES C&C RESEARCH LABORATORIES (KR) 2011-02-03 US disclosed
EP-2266989-A2 HETEROCYCLIC DERIVATIVES C&c Research Laboratories (KR) 2010-12-29 EP 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-20110028467-A1 HETEROCYCLIC DERIVATIVES XDH, NUDT1, UGDH GPBAR1 217/4885SLC22A12 692/4885SLC22A6 625/4885

“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.