SCHEMBL5563387

SCHEMBL5563387

N/C1=N/CCCCCCCN1

nearest known ligand 0.81

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 10/20 0.81
NOS1 P29475 10/20 0.81
NOS2 P35228 10/20 0.81
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
HSD17B10 Q99714 1/20 0.39
NISCH Q9Y2I1 4/20 0.38
TOP2A P11388 2/20 0.36
TOP2B Q02880 2/20 0.36
GAA P10253 1/20 0.33
TSHR P16473 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
SCHEMBL5563390 1.00 NOS3 (0.81) NOS3NOS1NOS2MEN1KMT2A
SCHEMBL5563394 1.00 NOS3 (0.81) NOS3NOS1NOS2MEN1KMT2A
SCHEMBL3538758 0.97
Iodide SCHEMBL10973537 0.95
SCHEMBL105170 0.90
Bromide SCHEMBL2295025 0.87
Hydrochloric Acid SCHEMBL3368438 0.87
Hydrochloric Acid SCHEMBL3568949 0.87
Nitric Acid SCHEMBL10980928 0.82 NOS3 (0.61) NOS3NOS1NOS2MEN1KMT2A
SCHEMBL127079 0.78

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070155712-A1 Compounds for the inhibition of angiogenesis and use thereof JERINI AG (DE) 2007-07-05 US claimed
US-8501787-B2 Compounds for the inhibition of angiogenesis and use thereof SHIRE ORPHAN THERAPIES GMBH (DE) 2013-08-06 US disclosed
US-20070155712-A1 Compounds for the inhibition of angiogenesis and use thereof JERINI AG (DE) 2007-07-05 US disclosed
WO-2005090329-A9 NEW COMPOUNDS FOR THE INHIBITION OF ANGIOGENESIS AND USE OF THEREOF JERINI AG (DE) 2007-02-01 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-20070155712-A1 Compounds for the inhibition of angiogenesis and use thereof ITGAV, VCAM1, ITGA5 NOS3 1193/4885NOS1 1225/4885NOS2 1034/4885

“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.