SCHEMBL1064252

SCHEMBL1064252

N=C(N)c1ccc(C[C@H](N)C(=O)O)cc1.N=C(N)c1ccc(C[C@H](N)C(=O)O)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TPH1 P17752 3/20 0.66
SLC7A5 Q01650 3/20 0.62
PTGS1 P23219 3/20 0.61
ALPI P09923 1/20 0.61
PKM P14618 1/20 0.61
XIAP P98170 1/20 0.61
PRSS1 P07477 2/20 0.54
PRSS2 P07478 2/20 0.54
PRSS3 P35030 2/20 0.54
F2 P00734 1/20 0.54
PLG P00747 1/20 0.54
C1S P09871 1/20 0.54
HIF1A Q16665 4/20 0.53
ALOX15 P16050 3/20 0.53
KDM4E B2RXH2 2/20 0.53
TDP1 Q9NUW8 2/20 0.53
USP2 O75604 1/20 0.53
EGFR P00533 1/20 0.53
LCK P06239 1/20 0.53
FYN P06241 1/20 0.53

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
SCHEMBL288202 1.00 TPH1 (0.66) TPH1SLC7A5PTGS1ALPIPKM
SCHEMBL1397441 1.00 TPH1 (0.66) TPH1SLC7A5PTGS1ALPIPKM
SCHEMBL288201 1.00 TPH1 (0.66) TPH1SLC7A5PTGS1ALPIPKM
Hydrochloric Acid SCHEMBL5279289 0.98 TPH1 (0.64) TPH1SLC7A5PTGS1ALPIPKM
SCHEMBL20714851 0.86 PRSS1 (0.50) TPH1SLC7A5PTGS1ALPIPKM
SCHEMBL668746 0.85 TPH1 (0.70) TPH1SLC7A5PTGS1ALPIPKM
SCHEMBL21690013 0.85 TPH1 (0.70) TPH1SLC7A5PTGS1ALPIPKM
SCHEMBL668747 0.85 TPH1 (0.70) TPH1SLC7A5PTGS1ALPIPKM
SCHEMBL7272904 0.85 TPH1 (0.50) TPH1SLC7A5PTGS1ALPIPKM
SCHEMBL2310526 0.84 SLC7A5 (0.83) TPH1SLC7A5PTGS1ALPIPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8486892-B2 Blood coagulation factor inhibitors NOVO NORDISK HEALTH CARE AG (CH) 2013-07-16 US disclosed
US-20110229453-A1 BLOOD COAGULATION FACTOR INHIBITORS NOVO NORDISK HEALTH CARE AG (CH) 2011-09-22 US disclosed
US-20110003752-A1 New Blood Coagulation Factor Inhibitors NOVO NORDISK HEALTH CARE A/G (CH) 2011-01-06 US disclosed
EP-2235042-A1 NEW BLOOD COAGULATION FACTOR INHIBITORS Novo Nordisk Health Care AG (CH) 2010-10-06 EP disclosed
EP-2190860-A1 BLOOD COAGULATION FACTOR INHIBITORS Novo Nordisk Health Care AG (CH) 2010-06-02 EP disclosed
WO-2009092758-A1 NEW BLOOD COAGULATION FACTOR INHIBITORS NOVO NORDISK HEALTH CARE AG (DK) 2009-07-30 WO disclosed
WO-2009024571-A1 BLOOD COAGULATION FACTOR INHIBITORS NOVO NORDISK HEALTH CARE AG (DK) 2009-02-26 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 (2 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-20110003752-A1 New Blood Coagulation Factor Inhibitors F7, F12, F5 TPH1 4428/4885SLC7A5 1684/4885PTGS1 3013/4885
US-20110229453-A1 BLOOD COAGULATION FACTOR INHIBITORS F5, TFPI, F7 TPH1 4114/4885SLC7A5 2649/4885PTGS1 973/4885

“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.