SCHEMBL21171920

SCHEMBL21171920

N=C(N)NCCCCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.56
SIGMAR1 Q99720 7/20 0.55
L3MBTL1 Q9Y468 2/20 0.53
LMNA P02545 1/20 0.53
TSHR P16473 1/20 0.53
NOS1 P29475 1/20 0.51
ALDH1A1 P00352 1/20 0.51
HPGD P15428 1/20 0.51
KMT2A Q03164 1/20 0.51
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
HSP90AA1 P07900 1/20 0.50

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
SCHEMBL8202834 0.94 L3MBTL1 (0.58) SIGMAR1L3MBTL1TSHRNOS1ALDH1A1
Hydrochloric Acid SCHEMBL28129395 0.93 L3MBTL1 (0.56) SIGMAR1L3MBTL1NOS1HPGDKMT2A
SCHEMBL10630007 0.87 LMNA (0.68) TRPV1L3MBTL1LMNATSHRALDH1A1
[11C]Phenethylguanidine SCHEMBL837644 0.86 NPC1 (0.59) L3MBTL1LMNATSHRNOS1ALDH1A1
[11C]Phenethylguanidine SCHEMBL28129390 0.85 NPC1 (0.57) L3MBTL1LMNATSHRNOS1ALDH1A1
[11C]Phenethylguanidine SCHEMBL27117673 0.85 NPC1 (0.57) L3MBTL1LMNATSHRNOS1ALDH1A1
Hydrochloric Acid SCHEMBL6249652 0.84 TRPV1 (0.48) TRPV1SIGMAR1L3MBTL1LMNATSHR
SCHEMBL23116515 0.84 MAOB (0.50) TRPV1NOS1KMT2ANPC1RAB9A
SCHEMBL17198821 0.83 NPC1 (0.55) LMNATSHRNOS1ALDH1A1NPC1
SCHEMBL23116505 0.82 MAOB (0.48) TRPV1SIGMAR1NOS1KMT2ANPC1

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 6 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-11352325-B2 Rapid fluorescence tagging of glycans and other biomolecules with enhanced MS signals WATERS TECHNOLOGIES CORPORATION (US) 2022-06-07 US disclosed
US-11353461-B2 Methods of enhancing MS detection of tagged glycans WATERS TECHNOLOGIES CORPORATION (US) 2022-06-07 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
US-20190219587-A1 METHODS OF ENHANCING MS DETECTION OF TAGGED GLYCANS WATERS TECHNOLOGIES CORPORATION 2019-07-18 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 (4 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-11352325-B2 Rapid fluorescence tagging of glycans and other biomolecules with enhanced MS signals FUT5, FUT6, ST3GAL3 TRPV1 2699/4885SIGMAR1 3502/4885L3MBTL1 2160/4885
US-20190331669-A1 FLUORESCENCE TAGGING OF GLYCANS AND OTHER BIOMOLECULES THROUGH REDUCTIVE AMINATION FOR ENHANCED MS SIGNALS FUT5, FUT6, OGT TRPV1 3307/4885SIGMAR1 3554/4885L3MBTL1 2419/4885
US-20220412963-A1 FLUORESCENCE TAGGING OF GLYCANS AND OTHER BIOMOLECULES THROUGH REDUCTIVE AMINATION FOR ENHANCED MS SIGNALS FUT5, FUT6, OGT TRPV1 3307/4885SIGMAR1 3554/4885L3MBTL1 2419/4885
US-11061023-B2 Fluorescence tagging of glycans and other biomolecules through reductive amination for enhanced MS signals FUT5, FUT6, OGT TRPV1 3307/4885SIGMAR1 3554/4885L3MBTL1 2419/4885

“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.