SCHEMBL5865181

SCHEMBL5865181

COC1=NCCCCCCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 5/20 0.42
NOS1 P29475 5/20 0.42
NOS2 P35228 5/20 0.42
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
HSD17B10 Q99714 1/20 0.39
ALDH1A1 P00352 3/20 0.36
HPGD P15428 2/20 0.36
RAB9A P51151 2/20 0.36
GAA P10253 1/20 0.36
CYP2D6 P10635 2/20 0.34
MAPT P10636 3/20 0.33
POLB P06746 1/20 0.32
USP2 O75604 1/20 0.32
INMT O95050 1/20 0.32
NPC1 O15118 1/20 0.32
LMNA P02545 1/20 0.32
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL5865176 1.00 NOS3 (0.42) NOS3NOS1NOS2KMT2AMEN1
SCHEMBL11237860 1.00 NOS3 (0.42) NOS3NOS1NOS2KMT2AMEN1
SCHEMBL5098521 1.00 NOS3 (0.42) NOS3NOS1NOS2KMT2AMEN1
SCHEMBL2382858 1.00 NOS3 (0.42) NOS3NOS1NOS2KMT2AMEN1
SCHEMBL2382862 1.00 NOS3 (0.42) NOS3NOS1NOS2KMT2AMEN1
SCHEMBL8268847 1.00 NOS3 (0.42) NOS3NOS1NOS2KMT2AMEN1
SCHEMBL5865174 1.00 NOS3 (0.42) NOS3NOS1NOS2KMT2AMEN1
SCHEMBL8446266 1.00 NOS3 (0.42) NOS3NOS1NOS2KMT2AMEN1
SCHEMBL5098524 1.00 NOS3 (0.42) NOS3NOS1NOS2KMT2AMEN1
SCHEMBL9374974 1.00 NOS3 (0.42) NOS3NOS1NOS2KMT2AMEN1

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-7030138-B2 Benzamidine derivatives SANKYO COMPANY, LIMITED (JP) 2006-04-18 US disclosed
US-20040147555-A1 Benzamidine derivatives SANKYO COMPANY, LIMITED (JP) 2004-07-29 US disclosed
EP-1375482-A1 BENZAMIDINE DERIVATIVE Sankyo Company, Limited (JP) 2004-01-02 EP disclosed
EP-0789571-A4 CYCLIC AMIDINE ANALOGS AS INHIBITORS OF NITRIC OXIDE SYNTHASE MERCK & CO INC (US) 1999-04-14 EP disclosed
EP-0789571-A1 CYCLIC AMIDINE ANALOGS AS INHIBITORS OF NITRIC OXIDE SYNTHASE Merck & Co., Inc. (US) 1997-08-20 EP disclosed
US-5629322-A TREATMENT OF NEURODEGENERATIVE DISORDERS, DISORDERS OF GASTROINTESTINAL MOTILITY AND INFLAMMATION MERCK & CO., INC. (US) 1997-05-13 US disclosed
WO-1996014844-A1 CYCLIC AMIDINE ANALOGS AS INHIBITORS OF NITRIC OXIDE SYNTHASE MERCK & CO., INC. (US) 1996-05-23 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-20040147555-A1 Benzamidine derivatives F9, F7, F2 NOS3 2753/4885NOS1 3244/4885NOS2 3415/4885

“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.