SCHEMBL16260998

SCHEMBL16260998

CCN(CC)CCNC(=O)c1ccc2cnc(NC(=O)ON3C(=O)CCC3=O)cc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.43
▸ TMEM97 Q5BJF2 1/20 0.42
▸ SIGMAR1 Q99720 1/20 0.42
▸ POLB P06746 2/20 0.41
▸ NAMPT P43490 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ NFKB1 P19838 1/20 0.41
▸ KCNH2 Q12809 1/20 0.41
▸ WNT1 P04628 1/20 0.41
▸ GSK3B P49841 1/20 0.41
▸ DYRK1A Q13627 1/20 0.41
▸ LMNA P02545 2/20 0.40
▸ SLC22A2 O15244 1/20 0.40
▸ SLC22A1 O15245 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ ACHE P22303 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ BLM P54132 2/20 0.40
▸ CYP3A4 P08684 1/20 0.40

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
SCHEMBL16261002 0.85 KMT2A (0.50) KMT2ATMEM97SIGMAR1POLBNAMPT
SCHEMBL15836551 0.84 KMT2A (0.51) KMT2ATMEM97SIGMAR1POLBNAMPT
SCHEMBL16260995 0.83 TMEM97 (0.49) KMT2ATMEM97SIGMAR1POLBNAMPT
SCHEMBL16261008 0.82 MCHR1 (0.39) KMT2APOLBNAMPTALDH1A1NFKB1
SCHEMBL15836548 0.80 ALDH1A1 (0.61) KMT2APOLBNAMPTALDH1A1NFKB1
SCHEMBL16260996 0.80 POLB (0.42) KMT2ATMEM97SIGMAR1POLBNAMPT
SCHEMBL17547235 0.78 KMT2A (0.49) KMT2ATMEM97SIGMAR1POLBNAMPT
SCHEMBL16260992 0.77 LMNA (0.56) KMT2ATMEM97SIGMAR1POLBNAMPT
SCHEMBL16261004 0.76 ALDH1A1 (0.41) KMT2ATMEM97SIGMAR1POLBALDH1A1
SCHEMBL15836550 0.75 LMNA (0.41) KMT2APOLBALDH1A1NFKB1KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200174008-A1 RAPID FLUORESCENCE TAGGING OF GLYCANS AND OTHER BIOMOLECULES WITH ENHANCED MS SIGNALS WATERS TECHNOLOGIES CORPORATION 2020-06-04 — — US disclosed
US-10436790-B2 Rapid fluorescence tagging of glycans and other biomolecules with enhanced MS signals WATERS TECHNOLOGIES CORPORATION (US) 2019-10-08 — — US disclosed
EP-2990401-A1 RAPID FLUORESCENCE TAGGING OF GLYCANS AND OTHER BIOMOLECULES WITH ENHANCED MASS SPECTROMETRY SIGNALS Waters Technologies Corporation (US) 2016-03-02 — — EP disclosed
US-20140350263-A1 RAPID FLUORESCENCE TAGGING OF GLYCANS AND OTHER BIOMOLECULES WITH ENHANCED MS SIGNALS WATERS TECHNOLOGIES CORPORATION (US) 2014-11-27 — — US disclosed
US-20140350263-A1 RAPID FLUORESCENCE TAGGING OF GLYCANS AND OTHER BIOMOLECULES WITH ENHANCED MS SIGNALS WATERS TECHNOLOGIES CORPORATION (US) 2014-11-27 — — 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 (3 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-20140350263-A1 RAPID FLUORESCENCE TAGGING OF GLYCANS AND OTHER BIOMOLECULES WITH ENHANCED MS SIGNALS FUT5, FUT6, CSGALNACT1 KMT2A 3081/4885TMEM97 4459/4885SIGMAR1 4664/4885
US-20200174008-A1 RAPID FLUORESCENCE TAGGING OF GLYCANS AND OTHER BIOMOLECULES WITH ENHANCED MS SIGNALS FUT5, FUT6, CSGALNACT1 KMT2A 3081/4885TMEM97 4459/4885SIGMAR1 4664/4885
US-10436790-B2 Rapid fluorescence tagging of glycans and other biomolecules with enhanced MS signals FUT5, FUT6, CSGALNACT1 KMT2A 2419/4885TMEM97 4758/4885SIGMAR1 4557/4885

“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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