SCHEMBL1758834

SCHEMBL1758834

COc1ccc(C)cc1NC=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.50
KMT2A Q03164 7/20 0.49
MEN1 O00255 6/20 0.49
MAPT P10636 5/20 0.49
SMN1; SMN2 Q16637 5/20 0.49
TSHR P16473 4/20 0.49
ALDH1A1 P00352 4/20 0.49
POLB P06746 2/20 0.49
HSD17B10 Q99714 1/20 0.49
GAA P10253 4/20 0.49
MAPK1 P28482 3/20 0.49
LMNA P02545 2/20 0.49
TDP1 Q9NUW8 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
TP53 P04637 2/20 0.48
CASP3 P42574 1/20 0.48
SENP7 Q9BQF6 1/20 0.48
SENP6 Q9GZR1 1/20 0.48
CYP3A4 P08684 1/20 0.46
KDM4E B2RXH2 1/20 0.45

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
SCHEMBL12157435 0.85 HTT (0.51) ACHEKMT2AMEN1SMN1; SMN2TSHR
SCHEMBL1758614 0.81 ALDH1A1 (0.56) KMT2AMEN1MAPTSMN1; SMN2TSHR
SCHEMBL19677081 0.80 HTT (0.48) KMT2AMEN1MAPTSMN1; SMN2ALDH1A1
SCHEMBL5223314 0.80 ALDH1A1 (0.47) MAPTTSHRALDH1A1HSD17B10GAA
SCHEMBL1758548 0.80 KMT2A (0.57) KMT2AMEN1MAPTSMN1; SMN2TSHR
SCHEMBL28617698 0.80 HTT (0.47) KMT2AMEN1MAPTSMN1; SMN2TSHR
SCHEMBL14240675 0.80 NPSR1 (0.40) KMT2AMEN1MAPTSMN1; SMN2TSHR
SCHEMBL5470228 0.77 MAPT (0.72) KMT2AMEN1MAPTTSHRALDH1A1
SCHEMBL15835919 0.77 NPSR1 (0.41) KMT2AMEN1MAPTSMN1; SMN2TSHR
SCHEMBL11160259 0.77 MAPT (0.52) ACHEKMT2AMEN1MAPTSMN1; 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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1189891-A1 TRIAZOLE COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF LION Bioscience AG (DE) 2002-03-27 EP claimed
US-6362342-B1 BIOSYNTHESIS; DRUG LIBRARIES LION BIOSCIENCE AG (DE) 2002-03-26 US claimed
WO-2001000594-A1 TRIAZOLE COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF LION BIOSCIENCE AG (DE) 2001-01-04 WO claimed
EP-3318557-A2 QUINOLONE COMPOUND Otsuka Pharmaceutical Co., Ltd. (JP) 2018-05-09 EP disclosed
EP-2493886-B1 HETEROARYL PIPERIDINE AND PIPERAZINE DERIVATES BAYER CROPSCIENCE AG (DE) 2014-11-26 EP disclosed
US-8501781-B2 Heteroarylpiperidine and -piperazine derivatives BAYER CROPSCIENCE AG (DE) 2013-08-06 US disclosed
EP-2493886-A1 HETEROARYLPIPERIDINE AND -PIPERAZINE DERIVATIVES Bayer CropScience AG (DE) 2012-09-05 EP disclosed
EP-2420491-A1 3 , 5-substitued piperidine compounds as renin inhibitors Novartis AG (CH) 2012-02-22 EP disclosed
US-20110306620-A1 Heteroarylpiperidine And-Piperazine Derivatives BAYER CROPSCIENCE AG (DE) 2011-12-15 US disclosed
WO-2011051244-A1 HETEROARYLPIPERIDINE AND -PIPERAZINE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2011-05-05 WO disclosed
US-7612085-B2 Sigma 2 receptor ligands and therapeutic uses therefor WASHINGTON UNIVERSITY (US) 2009-11-03 US disclosed
US-20080161343-A1 Sigma 2 Receptor Ligands and Therapeutic Uses Therefor WASHINGTON UNIVERSITY 2008-07-03 US disclosed
US-20070276011-A1 Plasminogen Activator Inhibitor-1 Inhibitor INSTITUTE OF MEDICINAL MOLECULAR DESIGN. INC. (JP) 2007-11-29 US disclosed
EP-1666469-A1 PLASMINOGEN ACTIVATOR INHIBITOR-1 INHIBITOR Institute of Medicinal Molecular Design, Inc. (JP) 2006-06-07 EP disclosed
EP-1189891-A1 TRIAZOLE COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF LION Bioscience AG (DE) 2002-03-27 EP disclosed
US-6362342-B1 BIOSYNTHESIS; DRUG LIBRARIES LION BIOSCIENCE AG (DE) 2002-03-26 US disclosed
WO-2001000594-A1 TRIAZOLE COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF LION BIOSCIENCE AG (DE) 2001-01-04 WO disclosed
US-5389285-A Liquid crystal coupled dichroic dyes HERCULES INCORPORATED (US) 1995-02-14 US disclosed
EP-0432735-A2 Liquid crystal coupled dichroic dyes HERCULES INCORPORATED (US) 1991-06-19 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 (3 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-20080161343-A1 Sigma 2 Receptor Ligands and Therapeutic Uses Therefor SIGMAR1, TMEM97, BAD ACHE 3781/4885KMT2A 2434/4885MEN1 4512/4885
US-20110306620-A1 Heteroarylpiperidine And-Piperazine Derivatives CAT, DPM1, ERG28 ACHE 1687/4885KMT2A 671/4885MEN1 3204/4885
US-20070276011-A1 Plasminogen Activator Inhibitor-1 Inhibitor SERPINE1, SERPINC1, SERPINB1 ACHE 3198/4885KMT2A 2948/4885MEN1 2892/4885

“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.