SCHEMBL2500288

SCHEMBL2500288

O=C(O)[N]Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.48
CES1 P23141 1/20 0.48
AKR1B1 P15121 1/20 0.48
KEAP1 Q14145 1/20 0.44
GRIN1 Q05586 2/20 0.43
GRIN2B Q13224 2/20 0.43
CTBP2 P56545 1/20 0.43
NOS2 P35228 1/20 0.43
ALDH1A1 P00352 2/20 0.43
TRPA1 O75762 1/20 0.43
CYP3A4 P08684 1/20 0.43
MIF P14174 1/20 0.43
HPGD P15428 1/20 0.43
CYP1A2 P05177 1/20 0.43
TSHR P16473 1/20 0.42
HDAC8 Q9BY41 2/20 0.41
HDAC6 Q9UBN7 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL1040588 0.81 NOS2 (0.50) CES2CES1AKR1B1KEAP1GRIN1
SCHEMBL689470 0.81 GRIN2B (0.50) CES2CES1AKR1B1GRIN1GRIN2B
SCHEMBL8013340 0.79 CES1 (0.54) CES2CES1AKR1B1CTBP2ALDH1A1
SCHEMBL3240431 0.79 GRIN1 (0.48) CES2CES1AKR1B1GRIN1GRIN2B
SCHEMBL3686805 0.79 NOS2 (0.44) CES2CES1AKR1B1KEAP1GRIN1
SCHEMBL817534 0.78 NOS2 (0.42) CES2CES1AKR1B1KEAP1GRIN1
SCHEMBL10332488 0.78 ALDH1A1 (0.42) CES2CES1AKR1B1KEAP1GRIN1
SCHEMBL818281 0.78 L3MBTL1 (0.42) CES2CES1AKR1B1KEAP1GRIN1
SCHEMBL817467 0.78 NOS2 (0.42) CES2CES1AKR1B1KEAP1GRIN1
SCHEMBL816881 0.78 NOS2 (0.42) CES2CES1AKR1B1KEAP1GRIN1

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 55 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1174151-B1 THERAPEUTIC TREATMENT OF EOSINOPHILIA USING CHYMASE INHIBITORS AS THE ACTIVE INGREDIENT DAIICHI ASUBIO PHARMA CO LTD (JP) 2007-01-24 EP claimed
US-6677344-B2 Chymase inhibitor for the treatment of eosinophilia DAIICHI SUNTORY PHARMA CO., LTD. (JP) 2004-01-13 US claimed
US-6500835-B2 FOR PROPHYLAXIS AND THERAPY OF FIBROSIS INVOLVING EXTRACELLULAR MATRIX DYSBOLISM HAVING A CHYMASE INHIBITOR AS AN EFFECTIVE INGREDIENT; SIDE EFFECT REDUCTION SUNTORY LIMITED (JP) 2002-12-31 US claimed
EP-1089752-A4 ALPHA-KETO OXADIAZOLES AS SERINE PROTEASE INHIBITORS CORTECH INC (US) 2002-01-02 EP claimed
EP-1089752-A1 ALPHA-KETO OXADIAZOLES AS SERINE PROTEASE INHIBITORS Cortech Inc. (US) 2001-04-11 EP claimed
WO-1999062538-A1 ALPHA-KETO OXADIAZOLES AS SERINE PROTEASE INHIBITORS CORTECH INC. (US) 1999-12-09 WO claimed
EP-0400290-A1 5-Amino-4-hydroxyvalerianic acid derivatives useful as intermediates in the preparation of renin inhibitors CIBA-GEIGY AG (CH) 1990-12-05 EP claimed
EP-0329606-A2 Antibiotics from myxocuccos CIBA-GEIGY AG (CH) 1989-08-23 EP claimed
EP-0144290-A2 Substituted ethylenediamine derivatives CIBA-GEIGY AG (CH) 1985-06-12 EP claimed
EP-0143746-A2 5-Amino 4-hydroxy-valeryl-substituted derivatives CIBA-GEIGY AG (CH) 1985-06-05 EP claimed
US-8030499-B2 1,3-dihydro-2H-indole-2-one compound and pyrrolidine-2-one compound fused with aromatic heterocycle TAISHO PHARMACEUTICAL CO., LTD. (JP) 2011-10-04 US disclosed
EP-2170076-A1 4-CARBOXYBENZYLAMINO DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2010-04-07 EP disclosed
US-20100029695-A1 METHOD OF TREATING DERMATITIS COMPRISING ADMINISTERING A CHYMASE INHIBITOR ASUBIO PHARMA CO., LTD. (JP) 2010-02-04 US disclosed
US-7618977-B2 Method of treating dermatitis comprising administering a chymase inhibitor ASUBIO PHARMA CO., LTD. (JP) 2009-11-17 US disclosed
WO-2009002495-A1 4-CARBOXYBENZYLAMINO DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS MERCK & CO., INC. (US) 2008-12-31 WO disclosed
US-4613676-A PEPTIDES CIBA-GEIGY CORPORATION (US) 1986-09-23 US disclosed
EP-0144290-A2 Substituted ethylenediamine derivatives CIBA-GEIGY AG (CH) 1985-06-12 EP disclosed
EP-0143746-A2 5-Amino 4-hydroxy-valeryl-substituted derivatives CIBA-GEIGY AG (CH) 1985-06-05 EP disclosed
EP-0056408-A1 GUANYLATED AMINOGLYCOSIDES, A PROCESS FOR THEIR PRODUCTION AND THEIR USE AS PHARMACEUTICALS SANDOZ AG (CH) 1982-07-28 EP disclosed
WO-1982000464-A1 GUANYLATED AMINOGLYCOSIDES,A PROCESS FOR THEIR PRODUCTION AND THEIR USE AS PHARMACEUTICALS LOIBNER H 1982-02-18 WO 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-20100029695-A1 METHOD OF TREATING DERMATITIS COMPRISING ADMINISTERING A CHYMASE INHIBITOR CMA1, DNPEP, SERPINB1 CES2 1831/4885CES1 986/4885AKR1B1 2552/4885

“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.