SCHEMBL2057342

SCHEMBL2057342

CN1C(=CC=CC=C2C(=O)c3ccccc3S2(=O)=O)C(C)(C)c2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 9/20 0.52
LMNA P02545 7/20 0.52
MAPT P10636 16/20 0.51
MEN1 O00255 13/20 0.51
KMT2A Q03164 13/20 0.51
POLB P06746 6/20 0.51
USP2 O75604 5/20 0.51
RAB9A P51151 4/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
NPC1 O15118 2/20 0.51
GAA P10253 7/20 0.48
THRB P10828 6/20 0.48
RECQL P46063 6/20 0.48
MAPK1 P28482 6/20 0.48
ALDH1A1 P00352 5/20 0.48
KDM4E B2RXH2 5/20 0.48
NPSR1 Q6W5P4 3/20 0.48
BLM P54132 3/20 0.48
TDP1 Q9NUW8 3/20 0.48
L3MBTL1 Q9Y468 3/20 0.48

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
SCHEMBL2057334 1.00 HTT (0.52) HTTLMNAMAPTMEN1KMT2A
SCHEMBL2057338 1.00 HTT (0.52) HTTLMNAMAPTMEN1KMT2A
SCHEMBL4506557 1.00 HTT (0.52) HTTLMNAMAPTMEN1KMT2A
SCHEMBL13292510 0.81 PTPN1 (0.38) HTTLMNAMAPTMEN1KMT2A
SCHEMBL2057099 0.79 MEN1 (0.40) HTTLMNAMAPTMEN1KMT2A
SCHEMBL2057106 0.79 MEN1 (0.40) HTTLMNAMAPTMEN1KMT2A
SCHEMBL23515503 0.76 MAPT (0.54) HTTLMNAMAPTMEN1KMT2A
SCHEMBL13713099 0.76 ESR1 (0.34) HTTMAPTMEN1KMT2APOLB
SCHEMBL9637127 0.75 MAPT (0.77) HTTLMNAMAPTMEN1KMT2A
SCHEMBL9637124 0.75 MAPT (0.77) HTTLMNAMAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8835632-B2 Methods to increase the photostability of dyes THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2014-09-16 US disclosed
US-20110046000-A1 METHODS TO INCREASE THE PHOTOSTABILITY OF DYES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-02-24 US disclosed
US-7592188-B2 environmentally sensitive fluorescent dye covalently linked to a binding domain which has specific affinity for a target molecule; fluorescence resonance energy transfer; detecting changes in the binding, conformational change; detecting human immunodeficiency virus THE SCRIPPS RESEARCH INSTITUTE (US) 2009-09-22 US disclosed
WO-2008157762-A2 METHODS TO INCREASE THE PHOTOSTABILITY OF DYES THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2008-12-24 WO 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-20110046000-A1 METHODS TO INCREASE THE PHOTOSTABILITY OF DYES PTMS, ACP1, SNRPE HTT 3252/4885LMNA 1662/4885MAPT 1731/4885

“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.