SCHEMBL12763953

SCHEMBL12763953

CC[N+](CC)=c1ccc2c(-c3ccccc3C(=O)Cl)c3ccc(C)cc3oc-2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ USP2 O75604 2/20 0.44
▸ POLB P06746 2/20 0.44
▸ BLM P54132 2/20 0.44
▸ PPARG P37231 1/20 0.44
▸ RXFP1 Q9HBX9 1/20 0.44
▸ NCOR2 Q9Y618 1/20 0.44
▸ ABCB1 P08183 1/20 0.42
▸ FPR2 P25090 4/20 0.41
▸ CFTR P13569 1/20 0.41
▸ PAX8 Q06710 1/20 0.41
▸ ATM Q13315 1/20 0.41
▸ GOPC Q9HD26 1/20 0.41
▸ TGM2 P21980 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.40
▸ THRB P10828 1/20 0.38
▸ RECQL P46063 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ FTO Q9C0B1 2/20 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
SCHEMBL12763951 0.91 POLB (0.50) MEN1KMT2AUSP2POLBBLM
SCHEMBL12724913 0.87 MEN1 (0.60) MEN1KMT2AUSP2POLBBLM
SCHEMBL19274786 0.86 MEN1 (0.51) MEN1KMT2AUSP2POLBBLM
SCHEMBL9290111 0.84 ABCB1 (0.46) MEN1KMT2AUSP2POLBBLM
SCHEMBL12763952 0.84 MEN1 (0.44) MEN1KMT2AUSP2POLBBLM
SCHEMBL18540754 0.83 TGM2 (0.48) MEN1KMT2AUSP2POLBBLM
SCHEMBL12763957 0.82 FPR2 (0.43) MEN1KMT2AUSP2POLBBLM
SCHEMBL19494774 0.81 USP2 (0.53) MEN1KMT2AUSP2POLBBLM
SCHEMBL16081224 0.81 MEN1 (0.57) MEN1KMT2AUSP2POLBBLM
SCHEMBL17109310 0.80 ABCB1 (0.44) MEN1KMT2AUSP2POLBBLM

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 MEN1 894/4885KMT2A 4043/4885USP2 3296/4885

“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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