SCHEMBL16260995

SCHEMBL16260995

CCN(CC)CCNC(=O)c1ccc2cc(C(=O)ON3C(=O)CCC3=O)ccc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TMEM97 Q5BJF2 1/20 0.49
▸ SIGMAR1 Q99720 1/20 0.49
▸ LMNA P02545 3/20 0.48
▸ ALDH1A1 P00352 3/20 0.48
▸ SLC22A2 O15244 1/20 0.48
▸ SLC22A1 O15245 1/20 0.48
▸ TSHR P16473 1/20 0.48
▸ ACHE P22303 1/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ KMT2A Q03164 3/20 0.47
▸ BLM P54132 2/20 0.47
▸ PMP22 Q01453 1/20 0.47
▸ NFKB1 P19838 1/20 0.46
▸ KCNH2 Q12809 1/20 0.46
▸ MCHR1 Q99705 2/20 0.45
▸ NAMPT P43490 1/20 0.45
▸ POLB P06746 2/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ CYP3A4 P08684 1/20 0.45

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
SCHEMBL16260992 0.90 LMNA (0.56) TMEM97SIGMAR1LMNAALDH1A1SLC22A2
SCHEMBL16261004 0.88 ALDH1A1 (0.41) TMEM97SIGMAR1LMNAALDH1A1SLC22A2
SCHEMBL15836551 0.87 KMT2A (0.51) TMEM97SIGMAR1LMNAALDH1A1SLC22A2
SCHEMBL16261002 0.84 KMT2A (0.50) TMEM97SIGMAR1LMNAALDH1A1SLC22A2
SCHEMBL16260998 0.83 KMT2A (0.43) TMEM97SIGMAR1LMNAALDH1A1SLC22A2
SCHEMBL17547279 0.82 LMNA (0.47) TMEM97SIGMAR1LMNAALDH1A1SLC22A2
SCHEMBL15836548 0.79 ALDH1A1 (0.61) LMNAALDH1A1SLC22A2SLC22A1TSHR
SCHEMBL16260993 0.79 KMT2A (0.46) TMEM97SIGMAR1LMNAALDH1A1SLC22A2
SCHEMBL17547235 0.78 KMT2A (0.49) TMEM97SIGMAR1LMNAALDH1A1SLC22A2
SCHEMBL11919098 0.78 LMNA (0.58) TMEM97SIGMAR1LMNAALDH1A1SLC22A2

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 4 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
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 TMEM97 4459/4885SIGMAR1 4664/4885LMNA 1566/4885
US-20200174008-A1 RAPID FLUORESCENCE TAGGING OF GLYCANS AND OTHER BIOMOLECULES WITH ENHANCED MS SIGNALS FUT5, FUT6, CSGALNACT1 TMEM97 4459/4885SIGMAR1 4664/4885LMNA 1566/4885
US-10436790-B2 Rapid fluorescence tagging of glycans and other biomolecules with enhanced MS signals FUT5, FUT6, CSGALNACT1 TMEM97 4758/4885SIGMAR1 4557/4885LMNA 2210/4885

“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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