SCHEMBL6015699

SCHEMBL6015699

CC(=O)NCc1ccc2[nH]ccc2c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.62
ALDH1A1 P00352 1/20 0.62
MAPT P10636 1/20 0.62
HDAC1 Q13547 2/20 0.50
HDAC8 Q9BY41 1/20 0.50
MAOB P27338 3/20 0.49
MAOA P21397 2/20 0.49
CACNA1G O43497 1/20 0.48
CACNA1H O95180 1/20 0.48
CACNA1I Q9P0X4 1/20 0.48
ABL1 P00519 1/20 0.47
SRC P12931 1/20 0.47
KMT2A Q03164 1/20 0.46
NLRP3 Q96P20 1/20 0.46
CHRNA7 P36544 1/20 0.45
KCNH2 Q12809 1/20 0.45
KDM1A O60341 1/20 0.45
DRD5 P21918 1/20 0.45
GSK3B P49841 1/20 0.44
EPHX1 P07099 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
SCHEMBL27525744 0.88 NLRP3 (0.59) KDM4EALDH1A1MAPTHDAC1MAOA
SCHEMBL9717422 0.86 HDAC1 (0.51) KDM4EALDH1A1MAPTHDAC1HDAC8
SCHEMBL27596815 0.84 HDAC1 (0.50) KDM4EALDH1A1MAPTHDAC1HDAC8
SCHEMBL8531291 0.84 ERCC1 (0.56) KDM4EALDH1A1MAPTHDAC1HDAC8
SCHEMBL13415005 0.81 TSHR (0.57) KDM4EALDH1A1MAPTHDAC1HDAC8
SCHEMBL7214903 0.80 L3MBTL1 (0.49) KDM4EALDH1A1MAPTHDAC1HDAC8
SCHEMBL29792562 0.80 L3MBTL1 (0.49) KDM4EALDH1A1MAPTHDAC1HDAC8
SCHEMBL12049502 0.79 TRPV1 (0.53) HDAC8KMT2ACHRNA7KCNH2
SCHEMBL27626476 0.79 ABL1 (0.46) KDM4EALDH1A1MAPTHDAC1HDAC8
SCHEMBL29644286 0.78 KDM1A (0.50) HDAC1HDAC8MAOBMAOAABL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10005794-B2 Production method for 2-fluoro-4-borono-L-phenylalanine, and precursor of 2-fluoro-4-borono-L-phenylalanine STELLA PHARMA CORPORATION (JP) 2018-06-26 US disclosed
EP-2565192-B9 ANTICANCER AGENT UNIV TOKYO (JP) 2015-11-25 EP disclosed
US-9156827-B2 Anticancer agent THE UNIVERSITY OF TOKYO (JP) 2015-10-13 US disclosed
US-9156827-B2 Anticancer agent THE UNIVERSITY OF TOKYO (JP) 2015-10-13 US disclosed
EP-2565192-B1 ANTICANCER AGENT UNIV TOKYO (JP) 2015-08-12 EP disclosed
CN-103391936-A Anticancer agent NAT UNIV CORP UNIV TOKYO 2013-11-13 CN disclosed
US-20130102776-A1 ANTICANCER AGENT RIKEN (JP) 2013-04-25 US disclosed
US-20130102776-A1 ANTICANCER AGENT RIKEN (JP) 2013-04-25 US disclosed
EP-2565192-A1 ANTICANCER AGENT The University of Tokyo (JP) 2013-03-06 EP disclosed
US-7049312-B1 Benzothiazinone and benzoxazinone compounds ABBOTT GMBH & CO. KG (DE) 2006-05-23 US disclosed
EP-1330457-B1 CYCLOPENTA[B][1,4] DIAZEPINO[6,7,1-HI]INDOLES AS 5HT2C ANTAGONISTS WYETH CORP (US) 2004-10-20 EP disclosed
EP-1181282-A2 BENZOTHIAZINONE AND BENZOXAZINONE COMPOUNDS BASF AKTIENGESELLSCHAFT (DE) 2002-02-27 EP disclosed
WO-2000075139-A2 BENZOTHIAZINONE AND BENZOXAZINONE COMPOUNDS BASF AKTIENGESELLSCHAFT (DE) 2000-12-14 WO disclosed
EP-0997474-A1 Antithrombotic agents PFIZER INC. (US) 2000-05-03 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-10005794-B2 Production method for 2-fluoro-4-borono-L-phenylalanine, and precursor of 2-fluoro-4-borono-L-phenylalanine NPR1, NPFFR2, NPFFR1 KDM4E 4176/4885ALDH1A1 2574/4885MAPT 4531/4885
US-20130102776-A1 ANTICANCER AGENT PIM1, PIM3, PIM2 KDM4E 540/4885ALDH1A1 1194/4885MAPT 4754/4885

“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.