SCHEMBL1888604

SCHEMBL1888604

CC(C(N)=O)c1cccc(N)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CPN1 P15169 1/20 0.49
CPB2 Q96IY4 1/20 0.49
EPHX1 P07099 1/20 0.44
PTGS1 P23219 3/20 0.42
MAPT P10636 2/20 0.42
CXCR1 P25024 2/20 0.42
CXCR2 P25025 2/20 0.42
PTGS2 P35354 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
ALDH1A1 P00352 2/20 0.42
RECQL P46063 2/20 0.42
CYP3A4 P08684 2/20 0.42
LMNA P02545 2/20 0.42
KDM4E B2RXH2 1/20 0.42
HPGD P15428 1/20 0.42
MAPK1 P28482 1/20 0.42
PMP22 Q01453 1/20 0.42
SLC22A6 Q4U2R8 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CXCL8 P10145 1/20 0.42

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
SCHEMBL27573545 0.86 CPN1 (0.50) CPN1CPB2PTGS1MAPTCXCR1
Anisole SCHEMBL27726275 0.86 L3MBTL1 (0.52) CPN1CPB2EPHX1PTGS1PTGS2
SCHEMBL11213811 0.85 MEN1 (0.50) EPHX1PTGS1MAPTCXCR1CXCR2
SCHEMBL8579553 0.85 PTGS1 (0.59) CPN1CPB2PTGS1MAPTCXCR1
SCHEMBL360725 0.85 PTGS1 (0.59) CPN1CPB2PTGS1MAPTCXCR1
Hydrochloric Acid SCHEMBL1177638 0.83 PTGS1 (0.57) CPN1CPB2PTGS1MAPTCXCR1
SCHEMBL1884076 0.82 MAPT (0.48) EPHX1PTGS1MAPTCXCR1CXCR2
SCHEMBL1884079 0.82 MAPT (0.48) EPHX1PTGS1MAPTCXCR1CXCR2
SCHEMBL3053512 0.81 PARP1 (0.50) EPHX1PTGS1MAPTCXCR1CXCR2
SCHEMBL1617654 0.81 ADRB1 (0.55) EPHX1PTGS1MAPTCXCR1CXCR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-86105641-A The method for preparing antianaphylaxis and antibronchospasm of N-dibenzyl-diazacyclo alkyl-alkyl-anilide 1987-04-01 CN claimed
CN-110357852-B Benzopyrimidine compounds, preparation method and application 中国药科大学 2022-06-10 CN disclosed
CN-110357852-A Benzo pyridine compound, preparation method and purposes 中国药科大学 2019-10-22 CN disclosed
CN-106163509-A Beta-substituted beta-amino acids and analogs as chemotherapeutic agents 夸德里加生物科学公司 2016-11-23 CN disclosed
US-7939521-B2 2-arylpropionic acid derivatives and pharmaceutical compositions containing them DompePHA.R.MA S.p.A. (IT) 2011-05-10 US disclosed
EP-1856031-B1 2-ARYLPROPIONIC ACID DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DOMPE PHA R MA SPA RES & MFG (IT) 2009-02-25 EP disclosed
US-20080312293-A1 2-Arylpropionic Acid Derivatives and Pharmaceutical Compositions Containing Them DOMPE' PHA.R.MA.S.P.A. (IT) 2008-12-18 US disclosed
EP-1856031-A1 2-ARYLPROPIONIC ACID DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DOMPE' pha.r.ma s.p.a. (IT) 2007-11-21 EP disclosed
CN-100343237-C Amide derivative and medicine NIPPON SHINYAKU CO LTD (JP) 2007-10-17 CN disclosed
WO-2006063999-A1 2-ARYLPROPIONIC ACID DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DOMPE' PHA.R.MA.S.P.A. (IT) 2006-06-22 WO disclosed
CN-1678590-A Amide derivative and pharmaceutical NIPPON SHINYAKU CO LTD (JP) 2005-10-05 CN disclosed
CN-1011784-B Process for preparing antiallergic and antimuscotromospasm agents N-benzhydryldiazacycloalkylalkyl anilides RECKORDATY CHEMICALS CORP (CH) 1991-02-27 CN disclosed
CN-86105641-A The method for preparing antianaphylaxis and antibronchospasm of N-dibenzyl-diazacyclo alkyl-alkyl-anilide 1987-04-01 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-20080312293-A1 2-Arylpropionic Acid Derivatives and Pharmaceutical Compositions Containing Them C3AR1, C5AR2, C5AR1 CPN1 2480/4885CPB2 411/4885EPHX1 1241/4885

“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.