SCHEMBL6224

SCHEMBL6224

CC(C)(C)OC(=O)N1CCC(CNc2cc(C(=O)O)ccc2[N+](=O)[O-])C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 2/20 0.49
▸ TDO2 P48775 1/20 0.49
▸ KDM4E B2RXH2 1/20 0.46
▸ PKM P14618 1/20 0.46
▸ JAK2 O60674 1/20 0.43
▸ JAK3 P52333 1/20 0.43
▸ PTK2 Q05397 1/20 0.43
▸ ACKR3 P25106 1/20 0.42
▸ HCAR3 P49019 3/20 0.42
▸ BRD3 Q15059 1/20 0.42
▸ NR1D1 P20393 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ BRD4 O60885 1/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ NPBWR1 P48145 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
SCHEMBL11909647 1.00 IDO1 (0.49) IDO1TDO2KDM4EPKMJAK2
SCHEMBL29848395 0.92 IDO1 (0.49) IDO1TDO2KDM4EPKMJAK2
SCHEMBL13960438 0.85 IDO1 (0.51) IDO1TDO2KDM4EPKMJAK2
SCHEMBL2429883 0.83 IDO1 (0.51) IDO1TDO2KDM4EPKMJAK2
SCHEMBL19857895 0.82 ACKR3 (0.47) IDO1TDO2ACKR3BRD3NR1D1
SCHEMBL19858101 0.82 ACKR3 (0.47) IDO1TDO2ACKR3BRD3NR1D1
SCHEMBL19857896 0.82 ACKR3 (0.47) IDO1TDO2ACKR3BRD3NR1D1
SCHEMBL18075571 0.81 IDO1 (0.49) IDO1TDO2KDM4EPKMJAK2
SCHEMBL11909200 0.81 MAPT (0.48) KDM4EALDH1A1CYP1A2MAPTCYP2C9
SCHEMBL11909199 0.81 MAPT (0.48) KDM4EALDH1A1CYP1A2MAPTCYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2493310-A1 BENZIMIDAZOLES AS FATTY ACID SYNTHASE INHIBITORS GlaxoSmithKline LLC (US) 2012-09-05 — — EP disclosed
US-20120208827-A1 BENZIMIDAZOLES AS FATTY ACID SYNTHASE INHIBITORS GLAXOSMITHKLINE LLC 2012-08-16 — — US disclosed
WO-2011056635-A1 BENZIMIDAZOLES AS FATTY ACID SYNTHASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2011-05-12 — — WO 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-20120208827-A1 BENZIMIDAZOLES AS FATTY ACID SYNTHASE INHIBITORS FASN, FADS1, FADS2 IDO1 1965/4885TDO2 2651/4885KDM4E 1624/4885

“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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