SCHEMBL2400726

SCHEMBL2400726

COC(=O)c1nc(N)sc1CCC(C)C

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 1/20 0.48
KDM4E B2RXH2 4/20 0.46
ALDH1A1 P00352 4/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
HPGD P15428 1/20 0.46
HSD17B10 Q99714 1/20 0.46
PKM P14618 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
RCE1 Q9Y256 1/20 0.41
CYP1A2 P05177 1/20 0.40
COPS5 Q92905 6/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MAPT P10636 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33

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
SCHEMBL3066792 0.85 KDM4E (0.48) FBP1KDM4EALDH1A1SMN1; SMN2HPGD
SCHEMBL27765071 0.83 COPS5 (0.55) FBP1KDM4EALDH1A1SMN1; SMN2HPGD
SCHEMBL3095838 0.83 FBP1 (0.66) FBP1KDM4EALDH1A1SMN1; SMN2HPGD
SCHEMBL535765 0.80 L3MBTL1 (0.56) FBP1KDM4EALDH1A1SMN1; SMN2HPGD
SCHEMBL2442951 0.80 KDM4E (0.51) FBP1KDM4EALDH1A1SMN1; SMN2HPGD
SCHEMBL4166061 0.76 KDM4E (0.59) FBP1KDM4EALDH1A1SMN1; SMN2HPGD
SCHEMBL30200863 0.74 FBP1 (0.46) FBP1KDM4EALDH1A1SMN1; SMN2HPGD
SCHEMBL1096595 0.73 ALDH1A1 (0.51) FBP1KDM4EALDH1A1SMN1; SMN2HPGD
SCHEMBL29063447 0.72 KDM4E (0.47) FBP1KDM4EALDH1A1SMN1; SMN2HPGD
SCHEMBL28935913 0.71 ALDH1A1 (0.60) FBP1KDM4EALDH1A1SMN1; SMN2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101589024-B Minor groove binders UNIV STRATHCLYDE 2014-01-01 CN disclosed
EP-2066627-B1 NOVEL MINOR GROOVE BINDERS UNIV STRATHCLYDE (GB) 2013-10-23 EP disclosed
US-8012967-B2 Minor groove binders UNIVERSITY OF STRATHCLYDE (GB) 2011-09-06 US disclosed
US-20100016311-A1 NOVEL MINOR GROOVE BINDERS UNIVERSITY OF STRATHCLYDE (GB) 2010-01-21 US disclosed
CN-101589024-A Novel minor groove binders UNIV STRATHCLYDE (GB) 2009-11-25 CN 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-20100016311-A1 NOVEL MINOR GROOVE BINDERS TOP2B, DNA2, CTCF FBP1 3015/4885KDM4E 1981/4885ALDH1A1 2317/4885

“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.