SCHEMBL4575003

SCHEMBL4575003

CCCCCN=C(N)NN

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.58
KMT2A Q03164 3/20 0.58
NOS1 P29475 3/20 0.56
GRIN2D O15399 1/20 0.55
GRIN3B O60391 1/20 0.55
GRIN1 Q05586 1/20 0.55
GRIN2A Q12879 1/20 0.55
GRIN2B Q13224 1/20 0.55
GRIN2C Q14957 1/20 0.55
GRIN3A Q8TCU5 1/20 0.55
SIGMAR1 Q99720 1/20 0.55
USP2 O75604 3/20 0.46
TP53 P04637 2/20 0.46
LMNA P02545 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
TSHR P16473 1/20 0.46
CYP2C19 P33261 1/20 0.46
HIF1A Q16665 1/20 0.46

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
Iodide SCHEMBL4574651 0.98 MEN1 (0.56) MEN1KMT2ANOS1GRIN2DGRIN3B
SCHEMBL9290906 0.98 MEN1 (0.61) MEN1KMT2ANOS1GRIN2DGRIN3B
SCHEMBL9415798 0.98 MEN1 (0.61) MEN1KMT2ANOS1GRIN2DGRIN3B
SCHEMBL9290797 0.93
Maleic Acid SCHEMBL5151421 0.86 MEN1 (0.44) MEN1KMT2ANOS1GRIN2DGRIN3B
SCHEMBL9290971 0.83
SCHEMBL20779515 0.82 LMNA (0.55) MEN1KMT2ANOS1GRIN2DGRIN3B
SCHEMBL9059398 0.82 MEN1 (0.58) MEN1KMT2ANOS1GRIN2DGRIN3B
SCHEMBL7041301 0.78 MEN1 (0.59) MEN1KMT2AGRIN2DGRIN3BGRIN1
SCHEMBL6159793 0.78 GRIN2D (0.62) MEN1KMT2AGRIN2DGRIN3BGRIN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008095903-A1 NEW ADDITION SALT OF N-AMINO-N'-PENTYLGUANIDINE, THE PROCESS FOR ITS PREPARATION AND USE THEREOF FOR OBTAINING TEGASEROD CHEMO IBÉRICA, S.A. (ES) 2008-08-14 WO claimed
EP-1955998-A1 New addition salt of N-amino-N'-pentylguanidine, the process for its preparation and use thereof for obtaining tegaserod Chemo Ibérica, S.A. (ES) 2008-08-13 EP claimed
WO-2008095903-A1 NEW ADDITION SALT OF N-AMINO-N'-PENTYLGUANIDINE, THE PROCESS FOR ITS PREPARATION AND USE THEREOF FOR OBTAINING TEGASEROD CHEMO IBÉRICA, S.A. (ES) 2008-08-14 WO disclosed
WO-2008095903-A1 NEW ADDITION SALT OF N-AMINO-N'-PENTYLGUANIDINE, THE PROCESS FOR ITS PREPARATION AND USE THEREOF FOR OBTAINING TEGASEROD CHEMO IBÉRICA, S.A. (ES) 2008-08-14 WO disclosed
EP-1955998-A1 New addition salt of N-amino-N'-pentylguanidine, the process for its preparation and use thereof for obtaining tegaserod Chemo Ibérica, S.A. (ES) 2008-08-13 EP disclosed
EP-1955998-A1 New addition salt of N-amino-N'-pentylguanidine, the process for its preparation and use thereof for obtaining tegaserod Chemo Ibérica, S.A. (ES) 2008-08-13 EP disclosed
EP-1955998-A1 New addition salt of N-amino-N'-pentylguanidine, the process for its preparation and use thereof for obtaining tegaserod Chemo Ibérica, S.A. (ES) 2008-08-13 EP disclosed
WO-2007119109-A2 PROCESSES FOR PREPARING TEGASEROD MALEATE AND PHARMACEUTICAL COMPOSITIONS CONTAINING IT MEDICHEM, S.A. (US) 2007-10-25 WO disclosed
CN-101018550-A DPP-IV inhibitors and modulation of 5-HT3And/or 5-HT4Combinations of compounds of the receptor NOVARTIS AG (CH) 2007-08-15 CN disclosed
US-20070112056-A1 Stable modifications of tegaserod hydrogen maleate NOVARTIS AG (CH) 2007-05-17 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-20070112056-A1 Stable modifications of tegaserod hydrogen maleate HRH2, HRH4, HRH1 MEN1 1131/4885KMT2A 1990/4885NOS1 1232/4885

“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.