SCHEMBL2407254

SCHEMBL2407254

C#CCn1c(C)nn(CO)c1=O

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 3/20 0.34
GLA P06280 1/20 0.34
BLM P54132 1/20 0.34
ADORA3 P0DMS8 4/20 0.33
POLB P06746 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
ALDH1A1 P00352 1/20 0.31
ADORA2A P29274 1/20 0.30
ADORA1 P30542 1/20 0.30

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
SCHEMBL12318695 0.83 ADORA3 (0.34) ADORA2BGLABLMADORA3POLB
SCHEMBL8560855 0.78 ADORA2B (0.41) ADORA2BGLABLMADORA3
SCHEMBL8560853 0.75 ADORA2B (0.36) ADORA2BGLABLMADORA3
SCHEMBL12267127 0.72 LMNA (0.34)
SCHEMBL11246582 0.71 ADORA2B (0.33) ADORA2BGLABLMADORA3
SCHEMBL1629499 0.65 ADORA2B (0.39) ADORA2BGLABLMADORA3ADORA2A
SCHEMBL11239932 0.64 ATM (0.33) ADORA2BGLABLMADORA3
SCHEMBL22899003 0.61 ADORA2B (0.49) ADORA2BGLABLMADORA3ADORA2A
SCHEMBL21531890 0.61 ADORA2B (0.38) ADORA2BGLABLMADORA3NPSR1
SCHEMBL22899000 0.61 ADORA2B (0.49) ADORA2BGLABLMADORA3ADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-57158765-A None JP disclosed
US-8614241-B2 Ester compound and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-12-24 US disclosed
US-8530669-B2 Ester compound and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-09-10 US disclosed
US-8530669-B2 Ester compound and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-09-10 US disclosed
US-8530669-B2 Ester compound and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-09-10 US disclosed
US-20130079378-A1 ESTER COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-03-28 US disclosed
US-20130079378-A1 ESTER COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-03-28 US disclosed
WO-2013027864-A1 ESTER COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-02-28 WO disclosed
EP-2552896-A1 ESTER COMPOUND AND USE THEREOF Sumitomo Chemical Company Limited (JP) 2013-02-06 EP disclosed
EP-2539324-A2 ESTER COMPOUND AND USE THEREOF Sumitomo Chemical Co., Ltd (JP) 2013-01-02 EP disclosed
US-20120309802-A1 ESTER COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-12-06 US disclosed
US-20120309802-A1 ESTER COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-12-06 US disclosed
US-20120309802-A1 ESTER COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-12-06 US disclosed
WO-2011122505-A1 ESTER COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-10-06 WO disclosed
WO-2011105523-A2 ESTER COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-09-01 WO disclosed
WO-2010087419-A2 ESTER COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-08-05 WO disclosed
US-5852048-A Ester compound and a pesticidal agent containing the same as an active ingredient SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1998-12-22 US disclosed
EP-0729949-A2 1,2,4-Triazol-3-ones as pesticides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1996-09-04 EP disclosed
JP-S57158765-A CARBOXYLIC ACID ESTER, ITS PREPARATION, AND INSECTICIDE CONTAINING SAID ESTER AS ACTIVE COMPONENT SUMITOMO CHEM CO LTD 1982-09-30 JP 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-20130079378-A1 ESTER COMPOUND AND USE THEREOF C9, CYP51A1, CYP4A11 ADORA2B 3939/4885GLA 3516/4885BLM 3752/4885
US-20120309802-A1 ESTER COMPOUND AND USE THEREOF CYP51A1, CYP4A11, CES1 ADORA2B 4098/4885GLA 2569/4885BLM 3808/4885

“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.