SCHEMBL26210623

SCHEMBL26210623

Cc1cc(C(=O)O)ccc1-c1c2cc/c(=[N+](/C)CCCS(=O)(=O)O)cc-2oc2cc(N(C)C)ccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.48
▸ BLM P54132 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ THRB P10828 1/20 0.48
▸ RECQL P46063 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48
▸ P2RY6 Q15077 1/20 0.47
▸ CA12 O43570 3/20 0.43
▸ CA1 P00915 3/20 0.43
▸ CA2 P00918 3/20 0.43
▸ CA9 Q16790 3/20 0.43
▸ GBA1 P04062 3/20 0.39
▸ ITPR1 Q14643 1/20 0.39
▸ USP2 O75604 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ PPARG P37231 1/20 0.38
▸ RXFP1 Q9HBX9 1/20 0.38
▸ NCOR2 Q9Y618 1/20 0.38
▸ HTR3A P46098 1/20 0.38
▸ CA14 Q9ULX7 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
SCHEMBL25342425 0.93 P2RY6 (0.49) MEN1BLMKMT2ATHRBRECQL
SCHEMBL25342430 0.93 P2RY6 (0.49) MEN1BLMKMT2ATHRBRECQL
SCHEMBL25342647 0.93 P2RY6 (0.48) MEN1BLMKMT2ATHRBRECQL
SCHEMBL25342641 0.93 P2RY6 (0.48) MEN1BLMKMT2ATHRBRECQL
SCHEMBL25429012 0.88 MEN1 (0.52) MEN1BLMKMT2ATHRBRECQL
SCHEMBL26212725 0.84 P2RY6 (0.49) MEN1BLMKMT2ATHRBRECQL
SCHEMBL25386342 0.82 P2RY6 (0.48) MEN1BLMKMT2ATHRBRECQL
SCHEMBL26211786 0.81 P2RY6 (0.48) MEN1BLMKMT2ATHRBRECQL
SCHEMBL25342357 0.81 P2RY6 (0.43) MEN1BLMKMT2ATHRBRECQL
SCHEMBL25342351 0.81 P2RY6 (0.43) MEN1BLMKMT2ATHRBRECQL

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-20230287217-A1 Zwitterionic Cell-Permeant and Water-Soluble Rhodamine Dyes for Quantitative Imaging Applications OREGON HEALTH & SCIENCE UNIVERSITY 2023-09-14 — — 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-20230287217-A1 Zwitterionic Cell-Permeant and Water-Soluble Rhodamine Dyes for Quantitative Imaging Applications SLC1A5, SLCO1B1, SLCO2B1 MEN1 3011/4885BLM 3906/4885KMT2A 4510/4885

“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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