SCHEMBL2011433

SCHEMBL2011433

CN(C)c1ccc(C=Cc2ccc(Br)cc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RELA Q04206 1/20 0.65
MAPT P10636 5/20 0.64
APP P05067 8/20 0.63
MEN1 O00255 3/20 0.61
KMT2A Q03164 3/20 0.61
CASP1 P29466 2/20 0.61
HBB P68871 2/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
NPC1 O15118 1/20 0.61
ALOX15 P16050 1/20 0.61
RAB9A P51151 1/20 0.61
GAA P10253 1/20 0.57
BRCA1 P38398 1/20 0.57
CASP7 P55210 1/20 0.57
PTGS1 P23219 1/20 0.57
ALDH1A1 P00352 1/20 0.57
LMNA P02545 1/20 0.57
ALPG P10696 1/20 0.57
THRB P10828 1/20 0.57
HTT P42858 1/20 0.57

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
SCHEMBL2011431 1.00 RELA (0.65) RELAMAPTAPPMEN1KMT2A
SCHEMBL1714446 0.88 RELA (0.81) RELAMAPTAPPMEN1KMT2A
SCHEMBL3025040 0.88 RELA (0.81) RELAMAPTAPPMEN1KMT2A
SCHEMBL7915381 0.88 RELA (0.81) RELAMAPTAPPMEN1KMT2A
SCHEMBL1714449 0.88 RELA (0.81) RELAMAPTAPPMEN1KMT2A
SCHEMBL13467434 0.88 RELA (0.81) RELAMAPTAPPMEN1KMT2A
SCHEMBL29389358 0.85 RELA (0.77) RELAMAPTAPPMEN1KMT2A
SCHEMBL59844 0.85 ALDH1A1 (0.69) MAPTAPPMEN1KMT2ASMN1; SMN2
SCHEMBL11139551 0.83 HSD17B3 (0.83) MAPTAPPMEN1KMT2ASMN1; SMN2
SCHEMBL11139554 0.83 HSD17B3 (0.83) MAPTAPPMEN1KMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170315137-A1 AMYLOID BINDING AGENTS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-11-02 US disclosed
US-9551722-B2 Amyloid binding agents THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-01-24 US disclosed
US-20150177262-A1 AMYLOID BINDING AGENTS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-06-25 US disclosed
EP-2509940-B1 AMYLOID BINDING AGENTS UNIV CALIFORNIA (US) 2015-06-10 EP disclosed
US-8940918-B2 Amyloid binding agents THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2015-01-27 US disclosed
US-20120302603-A1 AMYLOID BINDING AGENTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-11-29 US disclosed
EP-2509940-A2 AMYLOID BINDING AGENTS The Regents of the University of California (US) 2012-10-17 EP disclosed
WO-2011072257-A2 AMYLOID BINDING AGENTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-06-16 WO disclosed
US-7423133-B2 Fluorescent glycosides and methods for their use THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2008-09-09 US disclosed
US-20040215012-A1 FLUORESCENT GLYCOSIDES AND METHODS FOR THEIR USE THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2004-10-28 US disclosed
WO-2004019002-A2 FLUORESCENT GLYCOSIDES AND METHODS FOR THEIR USE THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2004-03-04 WO disclosed
EP-0242170-A2 Divinyl compounds and chromogenic recording-material prepared by use thereof YAMADA CHEMICAL CO., LTD. (JP) 1987-10-21 EP 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-20120302603-A1 AMYLOID BINDING AGENTS APP, APBA1, PSEN1 RELA 3753/4885MAPT 6/4885APP 1/4885
US-20170315137-A1 AMYLOID BINDING AGENTS APBA1, APP, PSEN1 RELA 3664/4885MAPT 5/4885APP 2/4885

“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.