SCHEMBL19632953

SCHEMBL19632953

CCN(CC)CCNC(=O)c1ccc2cc(NC(=O)NC)ccc2n1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TERT O14746 1/20 0.47
MCHR1 Q99705 15/20 0.47
ALDH1A1 P00352 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
KDM4E B2RXH2 1/20 0.47
NFKB1 P19838 1/20 0.46
KCNH2 Q12809 1/20 0.46
POLB P06746 2/20 0.46
CYP3A4 P08684 1/20 0.46
THRB P10828 1/20 0.46
BLM P54132 1/20 0.46
ATM Q13315 1/20 0.46

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
SCHEMBL20024501 0.91 TERT (0.47) TERTMCHR1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL19611848 0.89 TERT (0.49) TERTMCHR1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL19636619 0.88 TERT (0.48) TERTMCHR1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL22754787 0.87 TERT (0.47) TERTMCHR1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL25963271 0.83 TERT (0.44) TERTMCHR1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL16260991 0.83 TERT (0.44) TERTMCHR1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL14310903 0.81 ACKR3 (0.53) ALDH1A1SMN1; SMN2KDM4ENFKB1BLM
SCHEMBL25963520 0.81 TERT (0.42) TERTMCHR1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL2444201 0.80 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2KDM4ENFKB1KCNH2
SCHEMBL29472460 0.80 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2KDM4ENFKB1KCNH2

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-11747310-B2 Methods for liquid chromatography calibration for rapid labeled N-glycans WATERS TECHNOLOGIES CORPORATION (US) 2023-09-05 US disclosed
US-20180188259-A1 METHODS FOR THE RAPID PREPARATION OF LABELED GLYCOSYLAMINES AND FOR THE ANALYSIS OF GLYCOSYLATED BIOMOLECULES PRODUCING THE SAME WATERS TECHNOLOGIES CORPORATION (US) 2018-07-05 US disclosed
US-20180094293-A1 LABELED GLYCAN AMINO ACID COMPLEXES USEFUL IN LC-MS ANALYSIS AND METHODS OF MAKING THE SAME WATERS TECHNOLOGIES CORPORATION (US) 2018-04-05 US disclosed
US-20170336368-A1 METHODS FOR LIQUID CHROMATOGRAPHY CALIBRATION FOR RAPID LABELED N-GLYCANS WATERS TECHNOLOGIES CORPORATION (US) 2017-11-23 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-20170336368-A1 METHODS FOR LIQUID CHROMATOGRAPHY CALIBRATION FOR RAPID LABELED N-GLYCANS DDOST, STT3B, CSGALNACT1 TERT 4240/4885MCHR1 2711/4885ALDH1A1 1045/4885
US-11747310-B2 Methods for liquid chromatography calibration for rapid labeled N-glycans DDOST, STT3B, CSGALNACT1 TERT 4240/4885MCHR1 2711/4885ALDH1A1 1045/4885
US-20180094293-A1 LABELED GLYCAN AMINO ACID COMPLEXES USEFUL IN LC-MS ANALYSIS AND METHODS OF MAKING THE SAME DNPEP, ASNS, ANPEP TERT 4865/4885MCHR1 1609/4885ALDH1A1 4690/4885

“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.