SCHEMBL16255044

SCHEMBL16255044

O=C(NCCCNC(=O)c1nn(-c2ccc(Cl)cc2Cl)c2c1Cc1cc(S(=O)(=O)O)ccc1-2)c1nn(-c2ccc(Cl)cc2Cl)c2c1Cc1cc(S(=O)(=O)O)ccc1-2

nearest known ligand 0.65

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 11/20 0.60
▸ CNR1 P21554 6/20 0.60
▸ TDP1 Q9NUW8 1/20 0.60

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
SCHEMBL16255020 0.98 CNR2 (0.60) CNR2CNR1TDP1
SCHEMBL16253154 0.96 CNR2 (0.56) CNR2CNR1TDP1
SCHEMBL16255028 0.96 CNR2 (0.57) CNR2CNR1TDP1
SCHEMBL16255093 0.94 CNR2 (0.57) CNR2CNR1TDP1
SCHEMBL16253158 0.92 CNR2 (0.54) CNR2CNR1TDP1
SCHEMBL16255099 0.91 CNR2 (0.69) CNR2CNR1
SCHEMBL16253258 0.88 CNR2 (0.64) CNR2CNR1
SCHEMBL16255140 0.82 CNR1 (0.53) CNR2CNR1
SCHEMBL16255256 0.82 CNR2 (0.50) CNR2CNR1TDP1
SCHEMBL16240930 0.82 CNR1 (0.54) CNR2CNR1

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-20140343294-A1 PHARMACEUTICAL COMPOUNDS KEMOTECH S.R.L. (IT) 2014-11-20 — — 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-20140343294-A1 PHARMACEUTICAL COMPOUNDS CYP3A43, CYP2D6, CYP2C9 CNR2 576/4885CNR1 426/4885TDP1 3972/4885

“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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