SCHEMBL6417682

SCHEMBL6417682

NCCCCCNS(=O)(=O)c1ccc(C(=O)NCCCNC(=O)c2ccc(NN)nc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
NPSR1 Q6W5P4 1/20 0.49
CA2 P00918 4/20 0.44
USP2 O75604 1/20 0.41
KDM4E B2RXH2 1/20 0.40
MAPK1 P28482 1/20 0.40
GFER P55789 1/20 0.40
CA1 P00915 3/20 0.40
NPY5R Q15761 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
ITGB3 P05106 1/20 0.39
ITGA2B P08514 1/20 0.39
CA12 O43570 2/20 0.39
MMP2 P08253 2/20 0.39
CA9 Q16790 2/20 0.39
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
NAMPT P43490 1/20 0.38
MEN1 O00255 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
SCHEMBL8515103 0.85 KDM4E (0.49) KDM4EMAPK1HDAC1NAMPT
SCHEMBL8513622 0.83 KDM4E (0.58) KDM4ENAMPT
SCHEMBL8515153 0.81 KDM4E (0.58) KDM4ENAMPT
SCHEMBL8516388 0.81 KDM4E (0.58) KDM4ENAMPT
Acetone SCHEMBL28835039 0.78 KDM4E (0.50) ALDH1A1KDM4ENAMPT
SCHEMBL13349296 0.77 POLB (0.50) KDM4EMAPK1HDAC1NAMPT
SCHEMBL31365939 0.76 L3MBTL1 (0.57) ALDH1A1CA2KDM4EMEN1KMT2A
SCHEMBL8031999 0.75 MAPK1 (0.64) ALDH1A1CA2KDM4EMAPK1CA1
SCHEMBL16688446 0.74 MAPK1 (0.61) ALDH1A1CA2KDM4EMAPK1CA1
SCHEMBL12364920 0.73 EPHX2 (0.60) CA2KDM4ENAMPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6897209-B2 Labelled factor XIIIa substrates GE HEALTHCARE LIMITED (GB) 2005-05-24 US disclosed
EP-0994730-B1 LABELLED FACTOR XIIIa SUBSTRATES AMERSHAM PLC (GB) 2005-05-04 EP disclosed
US-20040076580-A1 Labelled factor XIIIa substrates AMERSHAM PLC (GB) 2004-04-22 US disclosed
US-6653299-B1 Radiotagged complexes; thrombosis, embolism, atherosclerosis, inflammation, cancer NYCOMED AMERSHAM PLC (GB) 2003-11-25 US 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-20040076580-A1 Labelled factor XIIIa substrates F13B, F7, F9 ALDH1A1 4469/4885NPSR1 3483/4885CA2 2989/4885

“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.