SCHEMBL3719794

SCHEMBL3719794

CC(=O)OCc1cccc([N+](=O)[O-])c1

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.63
MAOA P21397 1/20 0.63
MAPT P10636 3/20 0.58
LMNA P02545 3/20 0.58
KMT2A Q03164 2/20 0.58
MEN1 O00255 1/20 0.58
PKM P14618 1/20 0.58
RAB9A P51151 1/20 0.57
RXFP1 Q9HBX9 1/20 0.57
ALDH1A1 P00352 4/20 0.56
KDM4E B2RXH2 1/20 0.56
GAA P10253 1/20 0.56
POLB P06746 1/20 0.56
HTT P42858 1/20 0.56
TSHR P16473 1/20 0.54

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
SCHEMBL7203836 0.87 RAB9A (0.60) MAOBMAOAMAPTLMNAKMT2A
SCHEMBL18069820 0.86 MAOB (0.58) MAOBMAOAMAPTLMNAKMT2A
SCHEMBL11632216 0.86 RAB9A (0.62) MAOBMAOAMAPTLMNAKMT2A
SCHEMBL1130104 0.85 MAOB (0.57) MAOBMAOAMAPTLMNAKMT2A
SCHEMBL31081305 0.85 RAB9A (0.62) MAOBMAOAMAPTLMNAKMT2A
SCHEMBL4688326 0.85 MAOB (0.53) MAOBMAOAMAPTLMNAKMT2A
SCHEMBL28145792 0.85 RAB9A (0.62) MAOBMAOAMAPTLMNAKMT2A
Hydrochloric Acid SCHEMBL11632213 0.84 RAB9A (0.61) MAOBMAOAMAPTLMNAKMT2A
SCHEMBL3276281 0.84 RAB9A (0.57) MAOBMAOAMAPTLMNAKMT2A
SCHEMBL1493670 0.84 KMT2A (0.60) MAOBMAOAMAPTLMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107001390-A Boronic acid derivatives 默克专利股份公司 2017-08-01 CN disclosed
US-20170210744-A1 PROCESS FOR PREPARING A CARBAPENEM ANTIBIOTIC JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) 2017-07-27 US disclosed
CN-106478700-A The phenyl aminess kinases inhibitor that boryl replaces 杭州雷索药业有限公司 2017-03-08 CN disclosed
WO-2015145161-A1 PROCESS FOR PREPARING A CARBAPENEM ANTIBIOTIC JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) 2015-10-01 WO disclosed
WO-2013051672-A1 MEDICINAL AGENT COMPRISING THIAZOLIDINE DERIVATIVE OR SALT THEREOF AS ACTIVE INGREDIENT 株式会社ヤクルト本社 (JP) 2013-04-11 WO disclosed
WO-2010120994-A2 UREIDOARYL-AND CARBAMOYLARYL-MORPHOLINO- PYRIMIDINE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESIS WYETH LLC (US) 2010-10-21 WO disclosed
WO-2004106291-A1 HALOETHYL UREA COMPOUNDS AND THE USE THEREOF TO ATTENUATE, INHIBIT OR PREVENT CANCER CELL MIGRATION IMOTEP INC. (CA) 2004-12-09 WO disclosed
WO-2004106292-A1 HALOETHYL UREA COMPOUNDS AND THEIR USE TO ATTENUATE, INHIBIT OR PREVENT NON-CANCEROUS PATHOGENIC CELLULAR PROLIFERATION AND DISEASES ASSOCIATED THEREWITH IMOTEP INC. (CA) 2004-12-09 WO disclosed
CN-1151140-C Glucokinase activators - 2004-05-26 CN disclosed
CN-1349519-A Glucokinase activators HOFFMANN LA ROCHE (CH) 2002-05-15 CN 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 (1 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-20170210744-A1 PROCESS FOR PREPARING A CARBAPENEM ANTIBIOTIC MGAM, HAMP, MB MAOB 2362/4885MAOA 1606/4885MAPT 3944/4885

“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.