SCHEMBL21533666

SCHEMBL21533666

CCN(CC)CCNC(=O)Cc1cc(=O)oc2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ POLB P06746 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.44
▸ BCHE P06276 4/20 0.43
▸ ACHE P22303 4/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ GLA P06280 1/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ BRD4 O60885 1/20 0.42
▸ TP53 P04637 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
SCHEMBL21533706 0.83 MEN1 (0.45) KDM4EMEN1KMT2APOLBALDH1A1
SCHEMBL21171898 0.83 NPC1 (0.48) ALDH1A1ACHECYP1A2CYP3A4CYP2C9
SCHEMBL21533749 0.80 MEN1 (0.42) KDM4EMEN1KMT2APOLBALDH1A1
SCHEMBL24486825 0.79 CYP2D6 (0.58) KDM4EALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL24486833 0.79 MAOB (0.54) KDM4EMEN1KMT2AALDH1A1CYP1A2
SCHEMBL24820184 0.78 BRD4 (0.43) KDM4EKMT2AALDH1A1CYP1A2CYP3A4
SCHEMBL21171750 0.77 ACHE (0.48) KDM4EALDH1A1BCHEACHECYP1A2
SCHEMBL21533687 0.77 BCHE (0.49) KDM4EALDH1A1BCHEACHECYP1A2
SCHEMBL21172148 0.76 BCHE (0.44) KDM4EKMT2AALDH1A1BCHEACHE
SCHEMBL4369173 0.76 TDP1 (0.54) KDM4EALDH1A1CYP1A2CYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11061023-B2 Fluorescence tagging of glycans and other biomolecules through reductive amination for enhanced MS signals WATERS TECHNOLOGIES CORPORATION (US) 2021-07-13 — — US disclosed
US-20190331669-A1 FLUORESCENCE TAGGING OF GLYCANS AND OTHER BIOMOLECULES THROUGH REDUCTIVE AMINATION FOR ENHANCED MS SIGNALS WATERS TECHNOLOGIES CORPORATION (US) 2019-10-31 — — 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 (2 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-20190331669-A1 FLUORESCENCE TAGGING OF GLYCANS AND OTHER BIOMOLECULES THROUGH REDUCTIVE AMINATION FOR ENHANCED MS SIGNALS FUT5, FUT6, OGT KDM4E 3466/4885MEN1 3289/4885KMT2A 2258/4885
US-11061023-B2 Fluorescence tagging of glycans and other biomolecules through reductive amination for enhanced MS signals FUT5, FUT6, OGT KDM4E 3466/4885MEN1 3289/4885KMT2A 2258/4885

“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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