SCHEMBL17754037

SCHEMBL17754037

CC[N+](CC)=c1ccc2c(-c3ccccc3)c3ccc(N4CCCCC4)cc3oc-2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.50
▸ KMT2A Q03164 3/20 0.50
▸ BLM P54132 2/20 0.50
▸ THRB P10828 1/20 0.50
▸ RECQL P46063 1/20 0.50
▸ TDP1 Q9NUW8 1/20 0.50
▸ USP2 O75604 2/20 0.41
▸ POLB P06746 2/20 0.41
▸ ATM Q13315 1/20 0.41
▸ PLEC Q15149 1/20 0.41
▸ PPARG P37231 1/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.41
▸ NCOR2 Q9Y618 1/20 0.41
▸ TGM2 P21980 1/20 0.36
▸ AVPR2 P30518 2/20 0.35
▸ KIF11 P52732 2/20 0.34
▸ S1PR1 P21453 1/20 0.34
▸ S1PR3 Q99500 1/20 0.34
▸ FPR2 P25090 2/20 0.33
▸ ADORA2A P29274 1/20 0.33

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
SCHEMBL19635158 0.85 MEN1 (0.42) MEN1KMT2ABLMTHRBRECQL
SCHEMBL16081224 0.82 MEN1 (0.57) MEN1KMT2ABLMTHRBRECQL
SCHEMBL22636637 0.78 TGM2 (0.43) MEN1KMT2ABLMTHRBRECQL
SCHEMBL12410862 0.78 MEN1 (0.64) MEN1KMT2ABLMTHRBRECQL
SCHEMBL21648600 0.76 MEN1 (0.43) MEN1KMT2ABLMTHRBRECQL
SCHEMBL20288666 0.74 TGM2 (0.39) MEN1KMT2ABLMUSP2POLB
SCHEMBL21678271 0.72 APP (0.38) —
SCHEMBL23701708 0.71 APP (0.39) —
SCHEMBL18680527 0.71 MEN1 (0.65) MEN1KMT2ABLMTHRBRECQL
SCHEMBL16425630 0.70 NPC1 (0.35) MEN1KMT2ABLMTHRBRECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160139136-A1 RAPID FLUORESCENCE TAGGING OF GLYCANS AND OTHER BIOMOLECULES WITH ENHANCED MS SIGNALS WATERS TECHNOLOGIES CORPORATION (US) 2016-05-19 — — 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 (1 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-20160139136-A1 RAPID FLUORESCENCE TAGGING OF GLYCANS AND OTHER BIOMOLECULES WITH ENHANCED MS SIGNALS FUT5, FUT6, CSGALNACT1 MEN1 2746/4885KMT2A 3081/4885BLM 3624/4885

“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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