SCHEMBL2187935

SCHEMBL2187935

CC1CCc2[nH]c3ccc(Br)cc3c2C1

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.64
MEN1 O00255 2/20 0.60
MAPT P10636 2/20 0.59
SIRT1 Q96EB6 1/20 0.52
ALDH1A1 P00352 1/20 0.51
LMNA P02545 1/20 0.51
HSD17B10 Q99714 1/20 0.50
BAZ2B Q9UIF8 2/20 0.49
RAB9A P51151 1/20 0.48
HTR1B P28222 2/20 0.48
HTR1D P28221 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
DHODH Q02127 1/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
CYP2D6 P10635 1/20 0.44

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
SCHEMBL12285379 0.88 KMT2A (0.53) KMT2AMEN1MAPTSIRT1ALDH1A1
SCHEMBL6746912 0.86 MAPT (0.55) KMT2AMEN1MAPTSIRT1ALDH1A1
SCHEMBL6746909 0.86 MAPT (0.55) KMT2AMEN1MAPTSIRT1ALDH1A1
SCHEMBL20602346 0.84 MAPT (0.57) KMT2AMEN1MAPTSIRT1ALDH1A1
SCHEMBL11576749 0.84 KMT2A (0.65) KMT2AMEN1MAPTALDH1A1LMNA
SCHEMBL23657201 0.82 KMT2A (0.64) KMT2AMEN1MAPTSIRT1ALDH1A1
SCHEMBL13478770 0.82 KMT2A (0.64) KMT2AMEN1MAPTALDH1A1LMNA
SCHEMBL13478760 0.82 KMT2A (0.64) KMT2AMEN1MAPTALDH1A1LMNA
SCHEMBL13478800 0.82 KMT2A (0.64) KMT2AMEN1MAPTALDH1A1LMNA
SCHEMBL9336395 0.82 HTR1B (0.65) KMT2AMAPTSIRT1ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2343285-B1 Peptoid compounds useful as antibiotics UNIV WOLLONGONG (AU) 2015-02-25 EP disclosed
US-20120108499-A1 PEPTOID COMPOUNDS UNIVERSITY OF WOLLONGONG (AU) 2012-05-03 US disclosed
US-20120108499-A1 PEPTOID COMPOUNDS UNIVERSITY OF WOLLONGONG (AU) 2012-05-03 US disclosed
US-20120108499-A1 PEPTOID COMPOUNDS UNIVERSITY OF WOLLONGONG (AU) 2012-05-03 US disclosed
EP-2343285-A2 Peptoid compounds UNIVERSITY OF WOLLONGONG (AU) 2011-07-13 EP disclosed
US-20100167995-A1 PEPTOID COMPOUNDS UNIVERSITY OF WOLLONGONG (AU) 2010-07-01 US disclosed
US-20100167995-A1 PEPTOID COMPOUNDS UNIVERSITY OF WOLLONGONG (AU) 2010-07-01 US disclosed
US-20100167995-A1 PEPTOID COMPOUNDS UNIVERSITY OF WOLLONGONG (AU) 2010-07-01 US disclosed
US-7612036-B2 Peptoid compounds UNIVERSITY OF WOLLONGONG (AU) 2009-11-03 US disclosed
US-7612036-B2 Peptoid compounds UNIVERSITY OF WOLLONGONG (AU) 2009-11-03 US disclosed
EP-1412336-A4 PEPTOID COMPOUNDS UNIV WOLLONGONG (AU) 2007-08-29 EP disclosed
US-20070111927-A1 Peptoid compounds UNIVERSITY OF WOLLONGONG (AU) 2007-05-17 US disclosed
US-20070111927-A1 Peptoid compounds UNIVERSITY OF WOLLONGONG (AU) 2007-05-17 US disclosed
US-20070111927-A1 Peptoid compounds UNIVERSITY OF WOLLONGONG (AU) 2007-05-17 US disclosed
US-7160854-B2 Binaphthyl peptidomimetics for treating vancomycin resistant Staphylococcus aureas infections UNIVERSITY OF WOLLONGONG (AU) 2007-01-09 US disclosed
US-7160854-B2 Binaphthyl peptidomimetics for treating vancomycin resistant Staphylococcus aureas infections UNIVERSITY OF WOLLONGONG (AU) 2007-01-09 US disclosed
US-7160854-B2 Binaphthyl peptidomimetics for treating vancomycin resistant Staphylococcus aureas infections UNIVERSITY OF WOLLONGONG (AU) 2007-01-09 US disclosed
US-20050043509-A1 Peptoid compounds UNIVERSITY OF WOLLONGONG 2005-02-24 US disclosed
EP-1412336-A1 PEPTOID COMPOUNDS UNIVERSITY OF WOLLONGONG (AU) 2004-04-28 EP disclosed
WO-2003002545-A1 PEPTOID COMPOUNDS UNIVERSITY OF WOLLONGONG (AU) 2003-01-09 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 (4 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-20120108499-A1 PEPTOID COMPOUNDS VIP, FPR1, VIPR1 KMT2A 4739/4885MEN1 3065/4885MAPT 3267/4885
US-20100167995-A1 PEPTOID COMPOUNDS VIP, FPR1, VIPR1 KMT2A 4739/4885MEN1 3065/4885MAPT 3267/4885
US-20070111927-A1 Peptoid compounds VIP, FPR1, VIPR1 KMT2A 4739/4885MEN1 3065/4885MAPT 3267/4885
US-20050043509-A1 Peptoid compounds VIP, FPR1, VIPR1 KMT2A 4739/4885MEN1 3065/4885MAPT 3267/4885

“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.