SCHEMBL13951995

SCHEMBL13951995

CO/C=C/c1cccc(N=O)c1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CHRM5 P08912 1/20 0.37
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ RECQL P46063 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.36
▸ RELA Q04206 4/20 0.36
▸ FBP1 P09467 1/20 0.35
▸ APP P05067 3/20 0.34
▸ NFE2L2 Q16236 3/20 0.34
▸ ABL1 P00519 1/20 0.34
▸ BCR P11274 1/20 0.34
▸ CCNB2 O95067 1/20 0.33
▸ CDK1 P06493 1/20 0.33
▸ CDK4 P11802 1/20 0.33
▸ CCNB1 P14635 1/20 0.33
▸ CCND1 P24385 1/20 0.33
▸ CCNB3 Q8WWL7 1/20 0.33
▸ CYP19A1 P11511 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
SCHEMBL16130510 0.77 NFE2L2 (0.50) CYP1A2RELANFE2L2CYP19A1
SCHEMBL13241220 0.75 CHRM2 (0.35) FBP1
SCHEMBL13779257 0.74 RAF1 (0.41) CYP1A2RELAFBP1NFE2L2CCNB2
SCHEMBL13930343 0.73 RELA (0.59) CYP1A2TDP1RELAFBP1NFE2L2
SCHEMBL28665112 0.73 RELA (0.59) CYP1A2TDP1RELAFBP1NFE2L2
SCHEMBL29066455 0.73 LCK (0.61) FBP1ABL1BCRCCNB2CDK1
SCHEMBL878514 0.72 ALDH1A1 (0.50) CHRM5CYP1A2CYP3A4
SCHEMBL1109098 0.72 SLC9A1 (0.37) CHRM5CYP1A2CYP3A4RECQLTDP1
SCHEMBL8056512 0.72 NFE2L2 (0.65) CHRM5CYP1A2CYP3A4RELAFBP1
SCHEMBL8056513 0.72 NFE2L2 (0.65) CHRM5CYP1A2CYP3A4RELAFBP1

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-20090043111-A1 Novel process for ropinirole preparation LIU MEIZHENG 2009-02-12 — — 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-20090043111-A1 Novel process for ropinirole preparation PAH, DRD4, DBH CHRM5 2886/4885CYP1A2 78/4885CYP3A4 181/4885

“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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