SCHEMBL4265333

SCHEMBL4265333

NC(=O)NCC1CCC(N)C(N)C1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.67
▸ TSHR P16473 3/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ CYP2D6 P10635 1/20 0.33
▸ EPHX1 P07099 2/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ PLG P00747 1/20 0.31
▸ PLAT P00750 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ ALOX5 P09917 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ CA12 O43570 1/20 0.31
▸ CA1 P00915 1/20 0.31
▸ CA2 P00918 1/20 0.31
▸ MMP1 P03956 1/20 0.31
▸ MMP2 P08253 1/20 0.31
▸ MMP3 P08254 1/20 0.31
▸ MMP9 P14780 1/20 0.31
▸ MMP8 P22894 1/20 0.31
▸ CA9 Q16790 1/20 0.31

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
SCHEMBL14504645 0.83 TDP1 (0.44) TDP1ALDH1A1CYP2D6EPHX1CYP3A4
SCHEMBL2000699 0.81 — —
SCHEMBL18380898 0.78 TDP1 (0.68) TDP1TSHRALDH1A1CYP2D6EPHX1
SCHEMBL8596242 0.74 TDP1 (0.76) TDP1ALDH1A1CYP2D6EPHX1PLG
SCHEMBL8596237 0.74 TDP1 (0.76) TDP1ALDH1A1CYP2D6EPHX1PLG
SCHEMBL14504650 0.74 CTSL (0.55) KDM4E
SCHEMBL4697448 0.74 TDP1 (0.83) TDP1ALDH1A1CYP2D6EPHX1CYP3A4
SCHEMBL13999422 0.74 TDP1 (0.83) TDP1ALDH1A1CYP2D6EPHX1CYP3A4
SCHEMBL7296108 0.73 TDP1 (0.82) TDP1TSHRCYP2D6EPHX1ALOX5
SCHEMBL7296555 0.73 — —

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
US-7485632-B2 Cephalosporins NABRIVA THERAPEUTICS FORSCHUNGS GMBH (AT) 2009-02-03 — — US disclosed
EP-1529050-B1 CEPHALOSPORINS SANDOZ AG (CH) 2006-05-24 — — EP disclosed
US-20050234233-A1 e.g. 3-{(E)[[1-trans-(4-Amino-cyclohexylamino)-iminomethyl]-methylhydrazono]methyl}-7- {[(5-amino-1,2,4-thiadiazol-3-yl)-(Z)-(fluoromethoxyimino)-acetyl]amino}-3-cephem-4-carboxylic acid; microbiocide; Escherichia, Enterobacter, Enterococcus, Klebsiella, Streptococcus, Staphylococcus and Pseudomonas NABRIVA THERAPEUTICS AG (AT) 2005-10-20 — — US disclosed
EP-1529050-A1 CEPHALOSPORINS Sandoz AG (CH) 2005-05-11 — — EP disclosed
WO-2004007505-A1 CEPHALOSPORINS SANDOZ AG (CH) 2004-01-22 — — WO 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-20050234233-A1 e.g. 3-{(E)[[1-trans-(4-Amino-cyclohexylamino)-iminomethyl]-methylhydrazono]methyl}-7- {[(5-amino-1,2,4-thiadiazol-3-yl)-(Z)-(fluoromethoxyimino)-acetyl]amino}-3-cephem-4-carboxylic acid; microbiocide; Escherichia, Enterobacter, Enterococcus, Klebsiella, Streptococcus, Staphylococcus and Pseudomonas CD14, GNE, ECH1 TDP1 4317/4885TSHR 4164/4885ALDH1A1 1071/4885

“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.

Send feedback