SCHEMBL3869077

SCHEMBL3869077

N=C(N)NCCC[C@@H](NO)C(N)=O

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NPY4R P50391 15/20 0.39
NPY1R P25929 9/20 0.39
NPY5R Q15761 8/20 0.39
NPY2R P49146 5/20 0.39
ALOX15 P16050 1/20 0.39
MEN1 O00255 1/20 0.38
CYP1A2 P05177 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
SIRT5 Q9NXA8 1/20 0.32

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
SCHEMBL1799746 1.00 NPY4R (0.39) NPY4RNPY1RNPY5RNPY2RALOX15
SCHEMBL1799745 1.00 NPY4R (0.39) NPY4RNPY1RNPY5RNPY2RALOX15
SCHEMBL16260521 0.89 NPY4R (0.38) NPY4RNPY1RNPY5RNPY2RALOX15
SCHEMBL8164682 0.87 C3AR1 (0.40) NPY4RNPY1RNPY5RNPY2RALOX15
SCHEMBL117141 0.87 C3AR1 (0.40) NPY4RNPY1RNPY5RNPY2RALOX15
SCHEMBL466294 0.87 C3AR1 (0.40) NPY4RNPY1RNPY5RNPY2RALOX15
SCHEMBL1388278 0.84 NPY4R (0.41) NPY4RNPY1RNPY5RNPY2RALOX15
SCHEMBL8120411 0.84 NPY4R (0.41) NPY4RNPY1RNPY5RNPY2RALOX15
SCHEMBL22279914 0.84 ALOX15 (0.41) NPY4RNPY1RNPY5RNPY2RALOX15
SCHEMBL21008931 0.84 NPY4R (0.38) NPY4RNPY1RNPY5RNPY2RALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7498358-B2 e.g. N1-hydroxy-N2-[(4-phenoxyphenyl)sulfonyl]-D-argininamide; metallopeptidase inhibitor; antiinflammation, anticarcinogenic, antidiabetic agent; angiogenesis inhibitor; atherosclerosis, stroke, ulcer, infertility, scleroderma, endometriosis, mesothelioma EXELIXIS, INC. (US) 2009-03-03 US claimed
EP-1984500-A2 ADAM10 AND ITS USES RELATED TO INFECTION VANDERBILT UNIVERSITY (US) 2008-10-29 EP claimed
WO-2007084488-A2 ADAM10 AND ITS USES RELATED TO INFECTION VANDERBILT UNIVERSITY (US) 2007-07-26 WO claimed
US-20050227973-A1 Human adam-10 inhibitors EXELIXIS, INC. 2005-10-13 US claimed
EP-1461313-A1 HUMAN ADAM-10 INHIBITORS Exelixis, Inc. (US) 2004-09-29 EP claimed
WO-2003051825-A1 HUMAN ADAM-10 INHIBITORS EXELIXIS, INC. (US) 2003-06-26 WO claimed
US-8247451-B2 ADAM10 and its uses related to infection VANDERBILT UNIVERSITY (US) 2012-08-21 US disclosed
US-20090220514-A1 ADAM10 and its Uses Related to Infection VANDERBILT UNIVERSITY 2009-09-03 US disclosed
US-20090143386-A1 Human adam-10 inhibitors EXELIXIS, INC. 2009-06-04 US disclosed
US-7498358-B2 e.g. N1-hydroxy-N2-[(4-phenoxyphenyl)sulfonyl]-D-argininamide; metallopeptidase inhibitor; antiinflammation, anticarcinogenic, antidiabetic agent; angiogenesis inhibitor; atherosclerosis, stroke, ulcer, infertility, scleroderma, endometriosis, mesothelioma EXELIXIS, INC. (US) 2009-03-03 US disclosed
US-20050227973-A1 Human adam-10 inhibitors EXELIXIS, INC. 2005-10-13 US disclosed
EP-1461313-A1 HUMAN ADAM-10 INHIBITORS Exelixis, Inc. (US) 2004-09-29 EP disclosed
WO-2003051825-A1 HUMAN ADAM-10 INHIBITORS EXELIXIS, INC. (US) 2003-06-26 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 (3 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-20050227973-A1 Human adam-10 inhibitors ADAM10, ADAM12, ADAM9 NPY4R 4209/4885NPY1R 2930/4885NPY5R 3474/4885
US-20090220514-A1 ADAM10 and its Uses Related to Infection ADAM10, ADAM12, ADAM17 NPY4R 4819/4885NPY1R 4547/4885NPY5R 4645/4885
US-20090143386-A1 Human adam-10 inhibitors ADAM10, ADAM12, CASP10 NPY4R 3571/4885NPY1R 2535/4885NPY5R 3066/4885

“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.