SCHEMBL24820173

SCHEMBL24820173

CN(C(=O)NCCCNC(=N)N)c1cc(=O)oc2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 5/20 0.42
▸ ALDH1A1 P00352 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ RECQL P46063 1/20 0.39
▸ NQO1 P15559 1/20 0.38
▸ CA12 O43570 1/20 0.37
▸ CA1 P00915 1/20 0.37
▸ CA9 Q16790 1/20 0.37
▸ OPRM1 P35372 2/20 0.37
▸ TMEM97 Q5BJF2 2/20 0.37
▸ SIGMAR1 Q99720 2/20 0.37
▸ PTGS2 P35354 1/20 0.37
▸ ACKR3 P25106 1/20 0.37
▸ OPRK1 P41145 1/20 0.37
▸ RAB9A P51151 1/20 0.36
▸ LMNA P02545 1/20 0.36

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
SCHEMBL24820185 0.88 RECQL (0.41) BRD4ALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL21533689 0.83 BRD4 (0.43) BRD4ALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL24820184 0.80 BRD4 (0.43) BRD4ALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL24487062 0.80 BRD4 (0.41) BRD4ALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL24486803 0.79 RECQL (0.40) BRD4ALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL21533697 0.77 ALDH1A1 (0.40) BRD4ALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL24486805 0.77 CYP1A2 (0.41) BRD4ALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL21171750 0.76 ACHE (0.48) ALDH1A1CYP1A2CYP3A4CYP2C19RECQL
SCHEMBL21171972 0.75 ALDH1A1 (0.43) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL24486794 0.75 PTGS2 (0.40) BRD4ALDH1A1CYP1A2CYP3A4CYP2C9

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-20220412963-A1 FLUORESCENCE TAGGING OF GLYCANS AND OTHER BIOMOLECULES THROUGH REDUCTIVE AMINATION FOR ENHANCED MS SIGNALS WATERS TECHNOLOGIES CORPORATION 2022-12-29 — — 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-20220412963-A1 FLUORESCENCE TAGGING OF GLYCANS AND OTHER BIOMOLECULES THROUGH REDUCTIVE AMINATION FOR ENHANCED MS SIGNALS FUT5, FUT6, OGT BRD4 514/4885ALDH1A1 264/4885CYP1A2 2545/4885

“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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