SCHEMBL5118098

SCHEMBL5118098

CN(Cc1ccc(C#N)cc1)C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 1/20 0.63
CTBP2 P56545 1/20 0.51
CA12 O43570 1/20 0.50
CA9 Q16790 1/20 0.50
SIGMAR1 Q99720 2/20 0.49
TMEM97 Q5BJF2 1/20 0.49
POLB P06746 1/20 0.49
NPC1 O15118 3/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
HTT P42858 1/20 0.49
CYP2A6 P11509 1/20 0.48
SNCA P37840 2/20 0.48
TAS2R14 Q9NYV8 1/20 0.47
SLC6A2 P23975 1/20 0.46
SLC6A4 P31645 1/20 0.46
RORC P51449 1/20 0.46
RAB9A P51151 2/20 0.46
LOXL2 Q9Y4K0 1/20 0.46
CCR1 P32246 1/20 0.46

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
SCHEMBL27213630 0.91 NSD2 (0.55) NSD2CTBP2POLBMEN1KMT2A
SCHEMBL5317577 0.87 NSD2 (0.61) NSD2CTBP2CA12CA9SIGMAR1
SCHEMBL5317572 0.86 NSD2 (0.60) NSD2CTBP2CA12CA9SIGMAR1
SCHEMBL19049393 0.84 NSD2 (0.58) NSD2CA12CA9SIGMAR1TMEM97
SCHEMBL14540450 0.83 NSD2 (0.57) NSD2CA12CA9SIGMAR1TMEM97
SCHEMBL5117737 0.82 NSD2 (0.50) NSD2CTBP2SIGMAR1TMEM97POLB
SCHEMBL10194674 0.82 NSD2 (0.56) NSD2CA12CA9SIGMAR1TMEM97
SCHEMBL19002498 0.82 NSD2 (0.56) NSD2SIGMAR1TMEM97POLBNPC1
SCHEMBL12505597 0.82 MEP1A (0.56) NSD2CA12CA9NPC1MEN1
SCHEMBL7401773 0.81 HTT (0.51) NSD2CTBP2SIGMAR1TMEM97POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230127046-A1 G9a INHIBITOR RIKEN (JP) 2023-04-27 US disclosed
US-20220290140-A1 TRANS-CYCLOOCTENE LABELED ANTISENSE OLIGONUCLEOTIDES, RADIO LABELED TETRAZINE AND METHODS BIOGEN MA INC. 2022-09-15 US disclosed
EP-4017545-A1 TRANS-CYCLOOCTENE LABELED ANTISENSE OLIGONUCLEOTIDES, RADIO LABELED TETRAZINE AND METHODS Biogen MA Inc. (US) 2022-06-29 EP disclosed
WO-2021034924-A1 TRANS-CYCLOOCTENE LABELED ANTISENSE OLIGONUCLEOTIDES, RADIO LABELED TETRAZINE AND METHODS BIOGEN MA INC. (US) 2021-02-25 WO disclosed
CN-104302358-B The assimilation compound of isoquinolin 1 and their therapeutical uses of 3 aryl 5 substitution 癌症研究协会:皇家癌症医院 2017-12-05 CN disclosed
CN-104302358-A 3-aryl-5-substituted-isoquinolin-1-one compounds and their therapeutic use CANCER RES INST ROYAL 2015-01-21 CN disclosed
US-7361687-B2 Arylsulphonamide derivatives and methods of preparing LABORATOIRES FOURNIER SA (FR) 2008-04-22 US disclosed
US-20060084699-A1 Novel arylsulphonamide derivatives and use thereof as therapeutic agents LABORATOIRES FOURNIER SA (FR) 2006-04-20 US disclosed
US-20040063725-A1 Novel n(phenylsulphonyl)glycine derivatives and their therapeutic use LABORATORIES FOURNIER S.A. (FR) 2004-04-01 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 (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-20230127046-A1 G9a INHIBITOR EZH2, BMI1, DOT1L NSD2 57/4885CTBP2 1021/4885CA12 4465/4885
US-20060084699-A1 Novel arylsulphonamide derivatives and use thereof as therapeutic agents UGT1A1, UGT2B7, UGT1A6 NSD2 2965/4885CTBP2 4621/4885CA12 4556/4885
US-20220290140-A1 TRANS-CYCLOOCTENE LABELED ANTISENSE OLIGONUCLEOTIDES, RADIO LABELED TETRAZINE AND METHODS TK1, TTR, TALDO1 NSD2 4648/4885CTBP2 506/4885CA12 596/4885
US-20040063725-A1 Novel n(phenylsulphonyl)glycine derivatives and their therapeutic use GLS, GLS2, GLRB NSD2 2221/4885CTBP2 3551/4885CA12 3089/4885

“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.