SCHEMBL12763954

SCHEMBL12763954

CC[N+](CC)=c1ccc2c(-c3ccccc3C(=O)N(C)CCOC(=O)NCCCCCCOP(NC(C)C)OCCC#N)c3ccc(C)cc3oc-2c1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TGM2 P21980 1/20 0.39
▸ CHRM1 P11229 1/20 0.37
▸ FPR2 P25090 4/20 0.37
▸ SLC6A4 P31645 3/20 0.34
▸ NPY4R P50391 3/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ USP2 O75604 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ PPARG P37231 1/20 0.32
▸ BLM P54132 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ RXFP1 Q9HBX9 1/20 0.32
▸ NCOR2 Q9Y618 1/20 0.32
▸ MMP2 P08253 3/20 0.32

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
SCHEMBL12763990 0.93 TGM2 (0.39) TGM2CHRM1FPR2SLC6A4NPY4R
SCHEMBL12763955 0.86 TGM2 (0.44) TGM2CHRM1FPR2SLC6A4NPY4R
SCHEMBL12763950 0.84 FPR2 (0.38) TGM2CHRM1FPR2SLC6A4NPY4R
SCHEMBL12763956 0.83 FPR2 (0.38) TGM2CHRM1FPR2SLC6A4NPY4R
SCHEMBL12764001 0.82 — —
SCHEMBL14077999 0.79 TGM2 (0.52) TGM2CHRM1FPR2SLC6A4NPY4R
SCHEMBL12763963 0.75 — —
SCHEMBL12763952 0.75 MEN1 (0.44) TGM2CHRM1FPR2NPY4RMEN1
SCHEMBL12763957 0.74 FPR2 (0.43) TGM2CHRM1FPR2MEN1USP2
SCHEMBL12017847 0.72 MEN1 (0.53) TGM2CHRM1FPR2SLC6A4NPY4R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9228225-B2 Xanthene dyes BIOSEARCH TECHNOLOGIES, INC. (US) 2016-01-05 — — US disclosed
US-20110054165-A1 XANTHENE DYES BIOSEARCH TECHNOLOGIES, INC. (US) 2011-03-03 — — 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-20110054165-A1 XANTHENE DYES ANXA5, ANTXR2, XPOT TGM2 1403/4885CHRM1 532/4885FPR2 181/4885

“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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