Sugi Predict

Sugi Predict / Compounds / SCHEMBL455654

SCHEMBL455654

SCHEMBL455654

CCCCCN(CCCCC)c1ccc(/C=C/C=C/c2cc[n+](CCCCS(=O)(=O)O)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRM2 P08172 2/20 0.52
▸ CHRM4 P08173 2/20 0.52
▸ CHRM5 P08912 2/20 0.52
▸ CHRM1 P11229 2/20 0.52
▸ CHRM3 P20309 2/20 0.52
▸ KDM4A O75164 4/20 0.51
▸ KDM2A Q9Y2K7 4/20 0.51
▸ INSR P06213 2/20 0.42
▸ HTT P42858 4/20 0.39
▸ MEN1 O00255 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ APAF1 O14727 2/20 0.39
▸ HSP90AA1 P07900 2/20 0.39
▸ MAPK1 P28482 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ BLM P54132 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ RGS12 O14924 1/20 0.37
▸ CNR2 P34972 1/20 0.37

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
SCHEMBL455655 1.00 CHRM2 (0.52) CHRM2CHRM4CHRM5CHRM1CHRM3
Water SCHEMBL15128891 0.99 CHRM2 (0.51) CHRM2CHRM4CHRM5CHRM1CHRM3
Water SCHEMBL16343174 0.99 CHRM2 (0.51) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL6283006 0.96 CHRM2 (0.55) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL2947428 0.96 CHRM2 (0.55) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL18102248 0.96 CHRM2 (0.52) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL14984184 0.94 KDM4A (0.58) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL13629539 0.92 CHRM2 (0.61) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL25174360 0.91 CHRM2 (0.57) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL6418098 0.91 CHRM2 (0.57) CHRM2CHRM4CHRM5CHRM1CHRM3

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3464342-B1 MUTANT LIGHT-INDUCIBLE ION CHANNEL OF CHRIMSON MAX PLANCK GESELLSCHAFT (DE) 2026-03-18 — — EP disclosed
US-11384132-B2 Mutant light-inducible ion channel of chrimson MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. 2022-07-12 — — US disclosed
US-10753947-B2 Methods for screening voltage-gated proteins D.E. SHAW RESEARCH, LLC (US) 2020-08-25 — — US disclosed
US-20190218256-A1 MUTANT LIGHT-INDUCIBLE ION CHANNEL OF CHANNELRHODOPSIN MAX-PLANCK-GESELLSCHAFT ZUR FORDERUNG DER WISSENSCHAFTEN E.V. (DE) 2019-07-18 — — US disclosed
US-20190218271-A1 MUTANT LIGHT-INDUCIBLE ION CHANNEL OF CHRIMSON GEORG-AUGUST-UNIVERSITÄT GÖTTINGEN STIFTUNG ÖFFENTLICHEN RECHTS, UNIVERSITÄTSMEDIZIN (DE) 2019-07-18 — — US disclosed
EP-3464342-A1 MUTANT LIGHT-INDUCIBLE ION CHANNEL OF CHRIMSON Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2019-04-10 — — EP disclosed
US-20170362281-A1 MUTANT NQ-RHODOPSIN KR 2 MAX-PLANCK-GESELLSCHAFT ZUR FOERDERUNG DER WISSENSCHAFTEN E.V. (DE) 2017-12-21 — — US disclosed
WO-2017207761-A1 MUTANT LIGHT-INDUCIBLE ION CHANNEL OF CHRIMSON MAX-PLANCK-GESELLSCHAFT ZUR FOERDERUNG DER WISSENSCHAFTEN E.V. (DE) 2017-12-07 — — WO disclosed
EP-3237443-A1 MUTANT NQ-RHODOPSIN KR 2 Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2017-11-01 — — EP disclosed
WO-2016102677-A1 MUTANT NQ-RHODOPSIN KR 2 MAX-PLANCK-GESELLSCHAFT ZUR FOERDERUNG DER WISSENSCHAFTEN E.V. (DE) 2016-06-30 — — WO disclosed
US-8509867-B2 Non-invasive measurement of analytes CERCACOR LABORATORIES, INC. (US) 2013-08-13 — — US disclosed
EP-2614079-A1 MUTANT CHANNELRHODOPSIN 2 Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2013-07-17 — — EP disclosed
WO-2012032103-A1 MUTANT CHANNELRHODOPSIN 2 MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2012-03-15 — — WO disclosed
US-20070020181-A1 Non-invasive measurement of analytes CERCACOR LABORATORIES, INC. 2007-01-25 — — US disclosed
US-6869772-B2 Method for labeling individual cells WASHINGTON UNIVERSITY (US) 2005-03-22 — — US disclosed
US-20040106163-A1 Non-invasive measurement of analytes MASIMO LABORATORIES, INC. 2004-06-03 — — US disclosed
WO-2004044557-A2 NON-INVASIVE MEASUREMENT OF ANALYTES ARGOSE, INC. (US) 2004-05-27 — — WO disclosed
EP-1259808-A2 METHOD FOR LABELING INDIVIDUAL CELLS WASHINGTON UNIVERSITY (US) 2002-11-27 — — EP disclosed
US-20020155520-A9 Method for labeling individual cells WASHINGTON UNIVERSITY 2002-10-24 — — US disclosed
WO-2001069244-A2 METHOD FOR LABELING INDIVIDUAL CELLS WASHINGTON UNIVERSITY (US) 2001-09-20 — — 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-20070020181-A1 Non-invasive measurement of analytes SLC2A3, SLC2A2, SLC2A4 CHRM2 4123/4885CHRM4 3036/4885CHRM5 3051/4885

“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.