SCHEMBL4265226

SCHEMBL4265226

CNC(=S)NC1CCC(N(C)C)CC1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.45
ALDH1A1 P00352 4/20 0.41
RECQL P46063 2/20 0.41
POLB P06746 1/20 0.41
CYP3A4 P08684 2/20 0.40
TP53 P04637 1/20 0.40
PKM P14618 1/20 0.39
CYP2D6 P10635 1/20 0.37
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
HTT P42858 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 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
SCHEMBL4266940 1.00 SMN1; SMN2 (0.45) SMN1; SMN2ALDH1A1RECQLPOLBCYP3A4
SCHEMBL1544580 0.85
SCHEMBL14564699 0.76 CYP3A4 (0.68) SMN1; SMN2ALDH1A1POLBCYP3A4TP53
SCHEMBL8396968 0.76
SCHEMBL8395652 0.74 CYP3A4 (0.73) SMN1; SMN2ALDH1A1POLBCYP3A4TP53
SCHEMBL19705884 0.74 CYP3A4 (0.73) SMN1; SMN2ALDH1A1POLBCYP3A4TP53
SCHEMBL19705885 0.74 CYP3A4 (0.73) SMN1; SMN2ALDH1A1POLBCYP3A4TP53
SCHEMBL19705886 0.74 CYP3A4 (0.73) SMN1; SMN2ALDH1A1POLBCYP3A4TP53
SCHEMBL7928146 0.74 CYP3A4 (0.73) SMN1; SMN2ALDH1A1POLBCYP3A4TP53
SCHEMBL19705995 0.74 CYP3A4 (0.73) SMN1; SMN2ALDH1A1POLBCYP3A4TP53

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 6 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
CN-1678616-A Cephalosporins SANDOZ AG (CH) 2005-10-05 CN 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 SMN1; SMN2 4730/4885ALDH1A1 1071/4885RECQL 4658/4885

“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.