SCHEMBL21533693

SCHEMBL21533693

CCN(CC)CCNC(=S)N(C)c1ccc2ccccc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
KDM4E B2RXH2 3/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MCHR1 Q99705 2/20 0.41
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
HPGD P15428 1/20 0.40
MAPT P10636 2/20 0.38
LMNA P02545 2/20 0.38
NR1I2 O75469 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
MAPK1 P28482 1/20 0.38
CYP2C19 P33261 1/20 0.38
HTR2B P41595 1/20 0.38
CYP51A1 Q16850 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL21533692 0.85 KDM4E (0.50) ALDH1A1KDM4ESMN1; SMN2MCHR1MTNR1A
SCHEMBL21171906 0.78 ALDH1A1 (0.41) ALDH1A1KDM4EMTNR1AMTNR1BMEN1
SCHEMBL21171903 0.77 ALDH1A1 (0.40) ALDH1A1KDM4EMTNR1AMTNR1BHPGD
SCHEMBL21172152 0.75 IDO1 (0.53) ALDH1A1KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL24821556 0.74 ALDH1A1 (0.41) ALDH1A1MTNR1AMTNR1BMAPTLMNA
SCHEMBL24818347 0.73 NPSR1 (0.41) ALDH1A1SMN1; SMN2MTNR1AMTNR1BMEN1
SCHEMBL21533676 0.71 SIGMAR1 (0.45) SMN1; SMN2CYP1A2SIGMAR1L3MBTL1
SCHEMBL21171774 0.70 KDM4E (0.50) ALDH1A1KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL24486753 0.70 L3MBTL1 (0.58) ALDH1A1MAPTLMNAL3MBTL1
SCHEMBL21171812 0.69 KDM4E (0.47) ALDH1A1KDM4ESMN1; SMN2MCHR1HPGD

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 3 patents. 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
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 (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-20190331669-A1 FLUORESCENCE TAGGING OF GLYCANS AND OTHER BIOMOLECULES THROUGH REDUCTIVE AMINATION FOR ENHANCED MS SIGNALS FUT5, FUT6, OGT ALDH1A1 264/4885KDM4E 3466/4885SMN1; SMN2 4264/4885
US-20220412963-A1 FLUORESCENCE TAGGING OF GLYCANS AND OTHER BIOMOLECULES THROUGH REDUCTIVE AMINATION FOR ENHANCED MS SIGNALS FUT5, FUT6, OGT ALDH1A1 264/4885KDM4E 3466/4885SMN1; SMN2 4264/4885
US-11061023-B2 Fluorescence tagging of glycans and other biomolecules through reductive amination for enhanced MS signals FUT5, FUT6, OGT ALDH1A1 264/4885KDM4E 3466/4885SMN1; SMN2 4264/4885

“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.