SCHEMBL9974075

SCHEMBL9974075

CC(=O)CNC(=N)NCCCC(N)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
OTC P00480 1/20 0.48
NOS2 P35228 6/20 0.43
NOS1 P29475 5/20 0.43
NOS3 P29474 4/20 0.43
DDAH1 O94760 1/20 0.42
MEN1 O00255 1/20 0.41
CYP2C19 P33261 1/20 0.41
KMT2A Q03164 1/20 0.41
GSR P00390 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
TSHR P16473 1/20 0.41
BLM P54132 1/20 0.40
NOD1 Q9Y239 1/20 0.39
DPP7 Q9UHL4 1/20 0.38
ARG1 P05089 3/20 0.38
ARG2 P78540 3/20 0.38
PMP22 Q01453 1/20 0.38

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
SCHEMBL787839 0.87 OTC (0.50) OTCNOS2NOS1NOS3DDAH1
SCHEMBL25216092 0.87 OTC (0.50) OTCNOS2NOS1NOS3DDAH1
SCHEMBL21089975 0.84 OTC (0.50) OTCNOS2NOS1NOS3DDAH1
SCHEMBL3508097 0.84 OTC (0.50) OTCNOS2NOS1NOS3DDAH1
SCHEMBL1004634 0.84 OTC (0.50) OTCNOS2NOS1NOS3DDAH1
SCHEMBL8730134 0.84 NOD1 (0.52) OTCNOS2NOS1NOS3DDAH1
SCHEMBL12028765 0.84 OTC (0.50) OTCNOS2NOS1NOS3DDAH1
Tilarginine SCHEMBL1321022 0.83 OTC (0.49) OTCNOS2NOS1NOS3DDAH1
SCHEMBL21111056 0.83 DPP7 (0.58) OTCNOS2NOS1NOS3DDAH1
SCHEMBL30544644 0.83 OTC (0.49) OTCNOS2NOS1NOS3DDAH1

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-8202892-B2 Advanced glycation end products as active ingredients HENKEL AG & CO. KGAA (DE) 2012-06-19 US disclosed
US-8202892-B2 Advanced glycation end products as active ingredients HENKEL AG & CO. KGAA (DE) 2012-06-19 US disclosed
WO-2011131474-A2 SKIN-GENTLE DEODORANTS AND ANTIPERSPIRANTS HENKEL AG & CO. KGAA (DE) 2011-10-27 WO disclosed
US-20100204176-A1 ADVANCED GLYCATION END PRODUCTS AS ACTIVE INGREDIENTS HENKEL AG & CO. KGAA (DE) 2010-08-12 US disclosed
US-20100204176-A1 ADVANCED GLYCATION END PRODUCTS AS ACTIVE INGREDIENTS HENKEL AG & CO. KGAA (DE) 2010-08-12 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-20100204176-A1 ADVANCED GLYCATION END PRODUCTS AS ACTIVE INGREDIENTS AGER, GLA, TYR OTC 593/4885NOS2 163/4885NOS1 95/4885

“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.