SCHEMBL6017972

SCHEMBL6017972

COC(=O)c1ccc(CN(Cc2ccccn2)C(=O)OC(C)(C)C)nc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
NCOR2 Q9Y618 1/20 0.41
VNN1 O95497 1/20 0.41
MAPK1 P28482 2/20 0.40
PKM P14618 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
KDM4E B2RXH2 5/20 0.39
POLB P06746 3/20 0.39
MAPT P10636 2/20 0.39
TRPM8 Q7Z2W7 1/20 0.39
ALDH1A1 P00352 3/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
GABRA5 P31644 1/20 0.38
METAP2 P50579 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
ALOX15 P16050 1/20 0.38

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
SCHEMBL4939432 0.89 HDAC3 (0.51) HDAC3HDAC1HDAC2NCOR2PKM
SCHEMBL6018000 0.89 HDAC3 (0.43) HDAC3HDAC1HDAC2NCOR2VNN1
SCHEMBL6018110 0.84 PKM (0.45) HDAC3HDAC1HDAC2NCOR2PKM
SCHEMBL19889041 0.83 MAPK1 (0.48) VNN1MAPK1PKMMEN1KMT2A
SCHEMBL25523624 0.81 HDAC1 (0.39) HDAC3HDAC1HDAC2NCOR2MEN1
SCHEMBL4932966 0.80 HDAC3 (0.53) HDAC3HDAC1HDAC2NCOR2MEN1
SCHEMBL27439189 0.80 TRPM8 (0.55) HDAC3HDAC1HDAC2NCOR2KDM4E
SCHEMBL6645846 0.79 ALDH1A1 (0.40) HDAC3HDAC1HDAC2NCOR2MAPK1
SCHEMBL6018387 0.79 CYP1A2 (0.40) HDAC3HDAC1HDAC2NCOR2KMT2A
SCHEMBL6738132 0.78 LDHA (0.41) HDAC3HDAC1HDAC2NCOR2MEN1

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 HDAC3 2307/4885HDAC1 651/4885HDAC2 1538/4885

“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.