SCHEMBL3579786

SCHEMBL3579786

O=C(c1ccc(Br)cn1)N1CCN(c2ncccn2)CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.56
RECQL P46063 1/20 0.56
KDM4E B2RXH2 4/20 0.56
PPARG P37231 1/20 0.54
NR2E3 Q9Y5X4 1/20 0.54
NCOR2 Q9Y618 1/20 0.54
ALDH1A1 P00352 6/20 0.53
L3MBTL1 Q9Y468 3/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
SLC6A7 Q99884 4/20 0.52
TSHR P16473 1/20 0.52
PKM P14618 1/20 0.51
CYP2C19 P33261 2/20 0.51
TP53 P04637 1/20 0.51
CYP3A4 P08684 1/20 0.51
GAA P10253 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
HPGD P15428 1/20 0.51

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
SCHEMBL20788470 0.81 ALDH1A1 (0.56) KDM4EALDH1A1L3MBTL1TSHRGAA
SCHEMBL642288 0.81 ALDH1A1 (0.55) KDM4EALDH1A1L3MBTL1TSHRGAA
SCHEMBL1427022 0.81 ALDH1A1 (0.57) KDM4EALDH1A1L3MBTL1TSHRGAA
SCHEMBL2377708 0.80 POLB (0.54) KDM4EALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL1872354 0.79 ALDH1A1 (0.59) KDM4EALDH1A1L3MBTL1TSHRGAA
SCHEMBL3576031 0.79 SLC6A7 (0.73) HSD17B10KDM4EALDH1A1SLC6A7TSHR
SCHEMBL13388613 0.77 ALDH1A1 (0.50) KDM4EALDH1A1L3MBTL1TSHRGAA
SCHEMBL2379474 0.77 SMN1; SMN2 (0.70) KDM4EALDH1A1MEN1KMT2ATSHR
SCHEMBL24185682 0.76 L3MBTL1 (0.58) KDM4EALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL13388369 0.76 ALDH1A1 (0.46) HSD17B10KDM4EALDH1A1L3MBTL1TSHR

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-8772291-B2 Multicyclic compounds and methods of their use LEXICON PHARMACEUTICALS, INC. (US) 2014-07-08 US disclosed
EP-1893212-B1 MULTICYCLIC COMPOUNDS AND METHODS OF THEIR USE LEXICON PHARMACEUTICALS INC (US) 2013-10-16 EP disclosed
US-20100081691-A1 MULTICYCLIC COMPOUNDS AND METHODS OF THEIR USE LEXICON PHARMACEUTICALS, INC. (US) 2010-04-01 US disclosed
US-20090306100-A1 METHODS OF TREATING SCHIZOPHRENIA LEXICON PHARMACEUTICALS, INC. 2009-12-10 US disclosed
EP-2089018-A2 METHODS OF TREATING COGNITIVE IMPAIRMENT AND DEMENTIA Lexicon Pharmaceuticals, Inc. (US) 2009-08-19 EP disclosed
US-20080153811-A1 methods for treating, managing and preventing cognitive impairment associated with various diseases and disorders, age-associated memory impairment, and dementia. LEXICON PHARMACEUTICALS, INC. 2008-06-26 US disclosed
WO-2008067121-A2 METHODS OF TREATING COGNITIVE IMPAIRMENT AND DEMENTIA LEXICON PHARMACEUTICALS, INC. (US) 2008-06-05 WO disclosed
EP-1893212-A2 MULTICYCLIC COMPOUNDS AND METHODS OF THEIR USE Lexicon Pharmaceuticals, Inc. (US) 2008-03-05 EP disclosed
WO-2006124897-A2 METHODS AND COMPOSITIONS FOR IMPROVING COGNITION LEXICON GENETICS INCORPORATED (US) 2006-11-23 WO disclosed
WO-2006124748-A2 MULTICYCLIC COMPOUNDS AND METHODS OF THEIR USE LEXICON GENETICS INCORPORATED (US) 2006-11-23 WO disclosed
US-20060258691-A1 Methods and compositions for improving cognition LEXICON PHARMACEUTICALS, INC. 2006-11-16 US disclosed
US-20060258672-A1 Multicyclic compounds and methods of their use LEXICON PHARMACEUTICALS, INC. 2006-11-16 US 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 (5 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-20100081691-A1 MULTICYCLIC COMPOUNDS AND METHODS OF THEIR USE GRIN2C, CHAT, COMT HSD17B10 292/4885RECQL 1209/4885KDM4E 3142/4885
US-20080153811-A1 methods for treating, managing and preventing cognitive impairment associated with various diseases and disorders, age-associated memory impairment, and dementia. CHAT, PSEN2, PSEN1 HSD17B10 1124/4885RECQL 674/4885KDM4E 2349/4885
US-20090306100-A1 METHODS OF TREATING SCHIZOPHRENIA CHAT, GAP43, GRIN2A HSD17B10 2306/4885RECQL 3606/4885KDM4E 1625/4885
US-20060258691-A1 Methods and compositions for improving cognition PSEN1, PSEN2, APP HSD17B10 832/4885RECQL 777/4885KDM4E 1641/4885
US-20060258672-A1 Multicyclic compounds and methods of their use GRIN2C, CHAT, COMT HSD17B10 292/4885RECQL 1209/4885KDM4E 3142/4885

“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.