SCHEMBL6018070

SCHEMBL6018070

COC(=O)c1ccc(CNCc2ccccn2)nc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VNN1 O95497 1/20 0.54
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
KDM4E B2RXH2 4/20 0.50
ALDH1A1 P00352 3/20 0.50
HSD17B10 Q99714 2/20 0.50
ALOX15 P16050 2/20 0.50
HDAC3 O15379 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC2 Q92769 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
MAPK1 P28482 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HPGD P15428 1/20 0.47
L3MBTL1 Q9Y468 4/20 0.47
MAPK14 Q16539 1/20 0.47
PKM P14618 1/20 0.47
POLB P06746 2/20 0.47
MAPT P10636 1/20 0.47
NPC1 O15118 1/20 0.47

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
SCHEMBL1169765 0.86 L3MBTL1 (0.57) VNN1MEN1KMT2AKDM4EALDH1A1
SCHEMBL19889041 0.85 MAPK1 (0.48) VNN1MEN1KMT2AKDM4EALDH1A1
SCHEMBL25225376 0.82 ALDH1A1 (0.43) VNN1MEN1KMT2AKDM4EALDH1A1
SCHEMBL18424123 0.82 MCL1 (0.46) VNN1MEN1KMT2AKDM4EALDH1A1
SCHEMBL1017106 0.82 MEN1 (0.62) MEN1KMT2AKDM4EALDH1A1HSD17B10
SCHEMBL6019287 0.80 ALOX15 (0.60) MEN1KMT2AKDM4EALDH1A1HSD17B10
SCHEMBL18424125 0.80 ALDH1A1 (0.46) VNN1MEN1KMT2AKDM4EALDH1A1
SCHEMBL19889338 0.80 KDM4E (0.48) VNN1KDM4EALDH1A1HDAC3HDAC1
SCHEMBL3645148 0.80 GABRA5 (0.59) VNN1MEN1KMT2AKDM4EALDH1A1
SCHEMBL6205934 0.79 MAPK1 (0.57) MEN1KMT2AKDM4EALDH1A1MAPK1

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 VNN1 2397/4885MEN1 3048/4885KMT2A 3470/4885

“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.