SCHEMBL6018026

SCHEMBL6018026

CC(C)(C)OC(=O)NCc1ccc(C(=O)N[C@@H](CCC=O)C(=O)O)c2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 1/20 0.43
CTSK P43235 6/20 0.39
CTSS P25774 4/20 0.39
PPARA Q07869 4/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
HDAC10 Q969S8 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
PPARG P37231 3/20 0.38
MAPT P10636 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HDAC1 Q13547 1/20 0.37
KDM4E B2RXH2 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
ATM Q13315 1/20 0.36
ACE P12821 1/20 0.36
POLB P06746 1/20 0.36
GPR55 Q9Y2T6 1/20 0.36
CTSL P07711 2/20 0.36
PPARD Q03181 1/20 0.36

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
SCHEMBL6649544 0.88 KCNA5 (0.44) KCNA5CTSKCTSSPPARAMEN1
SCHEMBL6018600 0.81 NPSR1 (0.41) KCNA5CTSKMEN1KMT2AMAPT
SCHEMBL6018563 0.78 KCNA5 (0.46) KCNA5CTSKCTSSMEN1KMT2A
SCHEMBL6018224 0.74 KCNA5 (0.46) KCNA5MEN1KMT2AHDAC10HDAC6
SCHEMBL14940841 0.72 PPARA (0.47) CTSKCTSSPPARAMEN1KMT2A
SCHEMBL20310549 0.72 PPARA (0.47) CTSKCTSSPPARAMEN1KMT2A
SCHEMBL6019255 0.72 BMP1 (0.42) KCNA5CTSKCTSSMEN1KMT2A
SCHEMBL6018301 0.72 PSMB8 (0.41) CTSKCTSS
SCHEMBL13656743 0.71 NQO2 (0.51) KCNA5CTSKCTSSMEN1KMT2A
SCHEMBL17448537 0.69 AAK1 (0.50) KCNA5CTSKCTSSMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7098215-B2 Nitrogenous compounds and antiviral drugs containing the same KUREHA CHEMICAL INDUSTRY CO., LTD. (JP) 2006-08-29 US disclosed
US-20040092556-A1 Nitrogenous compounds and antiviral drugs containing the same KUREHA CORPORATION (JP) 2004-05-13 US disclosed
EP-1273571-A1 NITROGENOUS COMPOUNDS AND ANTIVIRAL DRUGS CONTAINING THE SAME Kureha Chemical Industry Co., Ltd. (JP) 2003-01-08 EP 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-20040092556-A1 Nitrogenous compounds and antiviral drugs containing the same NSUN2, ZC3HAV1L, PNP KCNA5 1857/4885CTSK 3544/4885CTSS 3168/4885

“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.