SCHEMBL24486805

SCHEMBL24486805

CCN(CC)CNC(=O)N(C)c1cc(=O)oc2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ CA12 O43570 1/20 0.40
▸ CA1 P00915 1/20 0.40
▸ CA9 Q16790 1/20 0.40
▸ BRD4 O60885 3/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ RECQL P46063 1/20 0.40
▸ PTGS2 P35354 1/20 0.39
▸ NQO1 P15559 1/20 0.38
▸ ALDH1A1 P00352 4/20 0.38
▸ HPGD P15428 3/20 0.37
▸ HTT P42858 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ LMNA P02545 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ DRD4 P21917 1/20 0.37

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
SCHEMBL24820184 0.88 BRD4 (0.43) CYP1A2CYP3A4CYP2C9CYP2C19BRD4
SCHEMBL24486749 0.87 RECQL (0.41) CYP1A2CYP3A4CYP2C9CYP2C19CA12
SCHEMBL24487062 0.79 BRD4 (0.41) CYP1A2CYP3A4CYP2C9CYP2C19CA12
SCHEMBL21533689 0.78 BRD4 (0.43) CYP1A2CYP3A4CYP2C9CYP2C19CA12
SCHEMBL24486794 0.78 PTGS2 (0.40) CYP1A2CYP3A4CYP2C9CYP2C19CA12
SCHEMBL24487155 0.78 RECQL (0.43) CYP1A2CYP3A4CYP2C9CYP2C19CA12
SCHEMBL24820173 0.77 BRD4 (0.42) CYP1A2CYP3A4CYP2C9CYP2C19CA12
SCHEMBL21533697 0.77 ALDH1A1 (0.40) CYP1A2CYP3A4CYP2C9CYP2C19CA12
SCHEMBL24487264 0.76 KMT2A (0.32) PTGS2ALDH1A1HPGDKDM4ESMN1; SMN2
SCHEMBL28349594 0.73 NQO1 (0.51) CYP1A2CYP3A4CYP2C9CYP2C19CA12

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-11352325-B2 Rapid fluorescence tagging of glycans and other biomolecules with enhanced MS signals WATERS TECHNOLOGIES CORPORATION (US) 2022-06-07 — — 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-11352325-B2 Rapid fluorescence tagging of glycans and other biomolecules with enhanced MS signals FUT5, FUT6, ST3GAL3 CYP1A2 3513/4885CYP3A4 1358/4885CYP2C9 4191/4885

“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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