SCHEMBL14619694

SCHEMBL14619694

O=[N+]([O-])/C=C/c1cccc2c1CCN2

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 1/20 0.46
▸ PRMT1 Q99873 1/20 0.42
▸ FBP1 P09467 11/20 0.41
▸ TLR4 O00206 2/20 0.40
▸ TLR2 O60603 2/20 0.40
▸ HSP90AA1 P07900 1/20 0.39
▸ VCP P55072 2/20 0.36
▸ MAPT P10636 1/20 0.34
▸ IDO1 P14902 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL5335092 0.75 NOTUM (0.40) —
SCHEMBL256723 0.72 MAPT (0.45) MAPT
SCHEMBL17498074 0.72 NOTUM (0.40) —
SCHEMBL5542226 0.72 NOTUM (0.40) —
SCHEMBL8364082 0.70 NOTUM (0.43) —
SCHEMBL31161534 0.69 S1PR1 (0.36) —
SCHEMBL27707619 0.68 GRIA1 (0.37) —
SCHEMBL5248954 0.66 GRIA1 (0.41) MAPT
Acetic Acid SCHEMBL28293668 0.66 TDP1 (0.42) FBP1MAPT
SCHEMBL13064016 0.65 NOTUM (0.40) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070032540-A1 Process for the preparation of ropinirole URGUIMA S.A. (ES) 2007-02-08 — — US 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-20070032540-A1 Process for the preparation of ropinirole PRLHR, COMT, DRD4 RXRA 3305/4885PRMT1 176/4885FBP1 3939/4885

“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.

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