SCHEMBL6017846

SCHEMBL6017846

Cc1cc(CN(Cc2ccccn2)C(=O)OC(C)(C)C)c2ccccc2c1C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.39
TRPM8 Q7Z2W7 1/20 0.39
ALDH1A1 P00352 4/20 0.38
NPSR1 Q6W5P4 2/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CYP1A2 P05177 1/20 0.36
FNTA P49354 1/20 0.36
FNTB P49356 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
MAPT P10636 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
TSHR P16473 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
NCOR2 Q9Y618 1/20 0.34

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
SCHEMBL6018238 0.82 KDM4E (0.40) KDM4ETRPM8ALDH1A1NPSR1CYP1A2
SCHEMBL6738132 0.78 LDHA (0.41) KDM4ETRPM8ALDH1A1NPSR1MEN1
SCHEMBL6018169 0.78 KDM4E (0.42) KDM4ETRPM8ALDH1A1NPSR1CYP1A2
SCHEMBL6645846 0.77 ALDH1A1 (0.40) KDM4ETRPM8ALDH1A1NPSR1CYP1A2
SCHEMBL6018000 0.76 HDAC3 (0.43) KDM4ETRPM8CYP1A2L3MBTL1MAPT
SCHEMBL4932966 0.76 HDAC3 (0.53) KDM4ETRPM8ALDH1A1NPSR1MEN1
SCHEMBL27439189 0.75 TRPM8 (0.55) KDM4ETRPM8NPSR1CYP1A2L3MBTL1
SCHEMBL6738134 0.75 TRPM8 (0.41) KDM4ETRPM8ALDH1A1MEN1KMT2A
SCHEMBL6018387 0.75 CYP1A2 (0.40) KDM4ETRPM8ALDH1A1NPSR1KMT2A
SCHEMBL6645527 0.74 BRD4 (0.39) KDM4ETRPM8ALDH1A1NPSR1CYP1A2

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 KDM4E 3110/4885TRPM8 4229/4885ALDH1A1 1324/4885

“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.