SCHEMBL2536404

SCHEMBL2536404

CCOC(=O)CCCCCC1(C)C(C)=[N+](CCC(OCC)OCC)c2ccc(S(=O)(=O)[O-])cc21

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 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
SCHEMBL23541422 0.93 ALDH1A1 (0.33) ALDH1A1MAPK1KMT2ATDP1L3MBTL1
SCHEMBL12252543 0.88 KMT2A (0.31) KMT2A
SCHEMBL20390451 0.85 CYP4F2 (0.36) ALDH1A1MAPK1KMT2ATDP1
SCHEMBL6301516 0.82 L3MBTL1 (0.33) ALDH1A1MAPK1KMT2ATDP1L3MBTL1
SCHEMBL6889106 0.82 L3MBTL1 (0.33) ALDH1A1MAPK1KMT2ATDP1L3MBTL1
SCHEMBL26879455 0.81
SCHEMBL6301520 0.81 L3MBTL1 (0.33) ALDH1A1MAPK1KMT2ATDP1L3MBTL1
SCHEMBL10090479 0.79 ALDH1A1 (0.35) ALDH1A1MAPK1KMT2ATDP1L3MBTL1
SCHEMBL2005244 0.79 LMNA (0.41) KMT2ATDP1
SCHEMBL2543739 0.78 DPP8 (0.43)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8044203-B2 Chiral indole intermediates and their fluorescent cyanine dyes containing functional groups CARNEGIE MELLON UNIVERSITY (US) 2011-10-25 US disclosed
EP-2258776-A1 Fluorescent cyanine dyes containing functional groups CARNEGIE MELLON UNIVERSITY (US) 2010-12-08 EP disclosed
US-20100267008-A1 CHIRAL INDOLE INTERMEDIATES AND THEIR FLUORESCENT CYANINE DYES CONTAINING FUNCTIONAL GROUPS CARNEGIE MELLON UNIVERSITY (US) 2010-10-21 US disclosed
US-7615646-B2 Chiral indole intermediates and their fluorescent cyanine dyes containing functional groups CARNEGIE MELLON UNIVERSITY (US) 2009-11-10 US disclosed
US-20060051758-A1 Chiral indole intermediates and their fluorescent cyanine dyes containing functional groups NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2006-03-09 US disclosed
EP-1525265-A4 CHIRAL INDOLE INTERMEDIATES AND THEIR FLUORESCENT CYANINE DYES CONTAINING FUNCTIONAL GROUPS UNIV CARNEGIE MELLON (US) 2005-06-22 EP disclosed
EP-1525265-A2 CHIRAL INDOLE INTERMEDIATES AND THEIR FLUORESCENT CYANINE DYES CONTAINING FUNCTIONAL GROUPS CARNEGIE-MELLON UNIVERSITY (US) 2005-04-27 EP disclosed
WO-2004039894-A2 CHIRAL INDOLE INTERMEDIATES AND THEIR FLUORESCENT CYANINE DYES CONTAINING FUNCTIONAL GROUPS CARNEGIE MELLON UNIVERSITY (US) 2004-05-13 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 (2 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-20060051758-A1 Chiral indole intermediates and their fluorescent cyanine dyes containing functional groups IDO1, TDO2, IDO2 ALDH1A1 1689/4885MAPK1 2515/4885KMT2A 1112/4885
US-20100267008-A1 CHIRAL INDOLE INTERMEDIATES AND THEIR FLUORESCENT CYANINE DYES CONTAINING FUNCTIONAL GROUPS IDO1, IDO2, INMT ALDH1A1 1629/4885MAPK1 2128/4885KMT2A 1219/4885

“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.