SCHEMBL4621752

SCHEMBL4621752

O=[N+]([O-])C=Cc1ccccc1CCBr

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.50
TLR4 O00206 2/20 0.46
TLR2 O60603 2/20 0.46
FBP1 P09467 3/20 0.46
PRMT1 Q99873 1/20 0.42
MAPT P10636 10/20 0.41
ALDH1A1 P00352 9/20 0.41
NPSR1 Q6W5P4 9/20 0.41
LMNA P02545 6/20 0.41
HPGD P15428 4/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
HTT P42858 4/20 0.41
HSP90AA1 P07900 4/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
ALOX12 P18054 2/20 0.41
CCR6 P51684 2/20 0.41
NTSR1 P30989 1/20 0.41
MCL1 Q07820 1/20 0.41
CYP1A2 P05177 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
SCHEMBL13915431 1.00 RXRA (0.50) RXRATLR4TLR2FBP1PRMT1
SCHEMBL28409564 0.83 RXRA (0.50) RXRATLR4TLR2FBP1PRMT1
SCHEMBL28409911 0.83 RXRA (0.50) RXRATLR4TLR2FBP1PRMT1
SCHEMBL13979638 0.75 MAPT (0.43) RXRATLR4TLR2FBP1MAPT
SCHEMBL4887026 0.75 MAPT (0.43) RXRATLR4TLR2FBP1MAPT
SCHEMBL14178884 0.75 MAPT (0.43) RXRATLR4TLR2FBP1PRMT1
SCHEMBL6696894 0.73 TDP1 (0.45) RXRATLR4TLR2FBP1MAPT
SCHEMBL6696898 0.73 TDP1 (0.45) RXRATLR4TLR2FBP1MAPT
SCHEMBL2297146 0.73 RXRA (0.58) RXRATLR4TLR2FBP1PRMT1
SCHEMBL29742372 0.73 RXRA (0.58) RXRATLR4TLR2FBP1PRMT1

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-2008075169-A2 A PROCESS FOR THE PURIFICATION OF ROPINIROLE HYDROCHLORIDE ORCHID CHEMICALS & PHARMACEUTICALS LIMITED (IN) 2008-06-26 WO disclosed
US-20050192338-A1 Process for the preparation of Ropinirole CF PHARMA GYOGYSZERGYARTO KFT. (HU) 2005-09-01 US disclosed
WO-2005080333-A1 PROCESS FOR PURIFICATION OF ROPINIROLE TORRENT PHARMACEUTICALS LTD (IN) 2005-09-01 WO disclosed
EP-1568689-A1 Process for the preparation of the 2-oxoindole derivative, Ropinirole Helm AG (DE) 2005-08-31 EP disclosed
EP-0300614-B1 PROCESS FOR THE PREPARATION OF SUBSTITUTED INDOLINONE DERIVATIVES SMITH KLINE FRENCH LAB (GB) 1993-08-25 EP disclosed
US-4997954-A Process for preparing substituted isoindolinone derivatives SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1991-03-05 US disclosed
EP-0300614-A1 Process for the preparation of substituted indolinone derivatives SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1989-01-25 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-20050192338-A1 Process for the preparation of Ropinirole PRLHR, ADCYAP1R1, QDPR RXRA 3246/4885TLR4 3806/4885TLR2 4443/4885

“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.