SCHEMBL1975770

SCHEMBL1975770

N=C(N)N(CCCC(NC(=O)C(N)CS)C(=O)O)[N+](=O)[O-]

nearest known ligand 0.63

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 2/20 0.63
NOS1 P29475 2/20 0.63
NOS2 P35228 2/20 0.63
FNTA P49354 14/20 0.36
FNTB P49356 14/20 0.36
PGGT1B P53609 12/20 0.36
NOD1 Q9Y239 1/20 0.34

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
SCHEMBL5966508 0.83 NOS3 (0.56) NOS3NOS1NOS2FNTAFNTB
SCHEMBL5966642 0.83 NOS3 (0.56) NOS3NOS1NOS2FNTAFNTB
SCHEMBL5271958 0.78 NOS1 (1.00) NOS3NOS1NOS2
SCHEMBL2237559 0.76 NOS3 (0.55) NOS3NOS1NOS2
SCHEMBL5966652 0.76 NOS3 (0.55) NOS3NOS1NOS2
SCHEMBL3671155 0.76 NOS1 (0.61) NOS3NOS1NOS2
SCHEMBL5966506 0.74 NOS3 (0.50) NOS3NOS1NOS2
Phosphoric Acid SCHEMBL7074988 0.74 NOS1 (0.89) NOS3NOS1NOS2
SCHEMBL30531616 0.74 FNTA (0.49) FNTAFNTBPGGT1B
SCHEMBL4302043 0.74 FNTA (0.49) FNTAFNTBPGGT1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2024323-B1 SALTS OF TRIMEBUTINE AND N-DESMETHYL TRIMEBUTINE GICARE PHARMA INC (CA) 2013-03-27 EP disclosed
US-20110144188-A1 SALTS OF TRIMEBUTINE AND N-DESMETHYL TRIMEBUTINE ANTIBE THERAPEUTICS INC. (CA) 2011-06-16 US disclosed
US-7666907-B2 Salts of trimebutine and N-desmethyl trimebutine ANTIBE THERAPEUTICS INC. (CA) 2010-02-23 US disclosed
EP-2024323-A1 SALTS OF TRIMEBUTINE AND N-DESMETHYL TRIMEBUTINE Antibe Therapeutics Inc. (US) 2009-02-18 EP disclosed
WO-2007140611-A1 SALTS OF TRIMEBUTINE AND N-DESMETHYL TRIMEBUTINE ANTIBE THERAPEUTICS INC. (CA) 2007-12-13 WO disclosed
US-20070275905-A1 SALTS OF TRIMEBUTINE AND N-DESMETHYL TRIMEBUTINE ANTIBE THERAPEUTICS INC. (CA) 2007-11-29 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 (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-20110144188-A1 SALTS OF TRIMEBUTINE AND N-DESMETHYL TRIMEBUTINE SI, VIP, TRIM59 NOS3 1318/4885NOS1 1259/4885NOS2 984/4885
US-20070275905-A1 SALTS OF TRIMEBUTINE AND N-DESMETHYL TRIMEBUTINE SI, VIP, TRIM59 NOS3 1318/4885NOS1 1259/4885NOS2 984/4885

“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.