SCHEMBL8910598

SCHEMBL8910598

CCC(=NO)c1ccc(C)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.52
KMT2A Q03164 4/20 0.52
MEN1 O00255 3/20 0.52
ATM Q13315 3/20 0.45
NPSR1 Q6W5P4 3/20 0.43
MAPT P10636 2/20 0.43
THRB P10828 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ALDH1A1 P00352 5/20 0.41
LMNA P02545 2/20 0.41
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
HTT P42858 3/20 0.40
KDM4E B2RXH2 1/20 0.40
GSK3B P49841 1/20 0.39
CTBP2 P56545 1/20 0.37
PKM P14618 2/20 0.37
HPGD P15428 1/20 0.37
NLRP1 Q9C000 1/20 0.37

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
SCHEMBL13636390 1.00 GAA (0.52) GAAKMT2AMEN1ATMNPSR1
SCHEMBL6562182 0.83 GAA (0.46) GAAKMT2AMEN1MAPTTHRB
SCHEMBL6562185 0.83 GAA (0.46) GAAKMT2AMEN1MAPTTHRB
SCHEMBL10947371 0.82 GAA (0.49) GAAKMT2AMEN1ATMNPSR1
SCHEMBL16563870 0.82 ESR1 (0.54) GAAKMT2AMEN1ATMNPSR1
SCHEMBL12741450 0.82 ESR1 (0.54) GAAKMT2AMEN1ATMNPSR1
SCHEMBL10874676 0.82 ESR1 (0.54) GAAKMT2AMEN1ATMNPSR1
SCHEMBL13035863 0.81 GAA (0.56) GAAKMT2AMEN1ATMMAPT
SCHEMBL2777133 0.80 GAA (0.50) GAAKMT2AMEN1ATMLMNA
SCHEMBL1546560 0.80 GAA (0.50) GAAKMT2AMEN1ATMMAPT

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-108822135-A A kind of synthetic method of the cyclosubstituted thieno of azepine [3,2-d] thiazole and its derivative 湘潭大学 2018-11-16 CN claimed
EP-0557274-B1 RECOVERY OF PALLADIUM HENKEL CORP (US) 1994-09-14 EP claimed
EP-0557274-A1 RECOVERY OF PALLADIUM. HENKEL CORP (US) 1993-09-01 EP claimed
WO-1992008813-A1 RECOVERY OF PALLADIUM HENKEL CORPORATION (US) 1992-05-29 WO claimed
CN-108822135-A A kind of synthetic method of the cyclosubstituted thieno of azepine [3,2-d] thiazole and its derivative 湘潭大学 2018-11-16 CN disclosed
US-9725423-B2 Tetrazolinone compound and applications thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-08-08 US disclosed
US-9725423-B2 Tetrazolinone compound and applications thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-08-08 US disclosed
US-20150299146-A1 TETRAZOLINONE COMPOUND AND APPLICATIONS THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-10-22 US disclosed
US-5654458-A PALLADIUM CHLORIDE COMPLEX WITH ETHER OXIME HENKEL CORPORATION (US) 1997-08-05 US disclosed
EP-0557274-B1 RECOVERY OF PALLADIUM HENKEL CORP (US) 1994-09-14 EP disclosed
EP-0557274-A1 RECOVERY OF PALLADIUM. HENKEL CORP (US) 1993-09-01 EP disclosed
WO-1992008813-A1 RECOVERY OF PALLADIUM HENKEL CORPORATION (US) 1992-05-29 WO disclosed
US-4032644-A HYPOLIPIDEMIC AGENTS SANDOZ, INC. (US) 1977-06-28 US 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-20150299146-A1 TETRAZOLINONE COMPOUND AND APPLICATIONS THEREOF RTN3, CYCS, ATL3 GAA 4133/4885KMT2A 3298/4885MEN1 2138/4885

“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.