SCHEMBL2007780

SCHEMBL2007780

O=C(CNC(=O)c1ccc([N+](=O)[O-])s1)NC(c1cccc(F)c1)c1cccc(F)c1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 7/20 0.59
SLC6A5 Q9Y345 4/20 0.59
LMNA P02545 5/20 0.52
ALDH1A1 P00352 4/20 0.52
MAPT P10636 3/20 0.52
POLB P06746 3/20 0.52
L3MBTL1 Q9Y468 3/20 0.52
MITF O75030 1/20 0.50
SMN1; SMN2 Q16637 5/20 0.45
HTT P42858 3/20 0.45
GPR139 Q6DWJ6 1/20 0.44
CASP3 P42574 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41

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
SCHEMBL2007729 0.83 SLC6A9 (0.64) SLC6A9SLC6A5ALDH1A1POLBSMN1; SMN2
SCHEMBL2008508 0.81 SLC6A9 (0.61) SLC6A9SLC6A5LMNAALDH1A1MAPT
SCHEMBL2010963 0.80 SLC6A9 (0.77) SLC6A9SLC6A5ALDH1A1MAPTSMN1; SMN2
SCHEMBL2004154 0.78 SLC6A9 (0.67) SLC6A9SLC6A5ALDH1A1POLBSMN1; SMN2
SCHEMBL2014172 0.76 SLC6A9 (0.83) SLC6A9SLC6A5LMNAALDH1A1GPR139
SCHEMBL2007259 0.75 SLC6A9 (1.00) SLC6A9SLC6A5GPR139
SCHEMBL2006707 0.75 SLC6A9 (0.85) SLC6A9SLC6A5GPR139
SCHEMBL8211210 0.74 SLC6A9 (0.78) SLC6A9SLC6A5GPR139
SCHEMBL2009604 0.73 SLC6A9 (0.72) SLC6A9SLC6A5GPR139
SCHEMBL2006465 0.72 SLC6A9 (0.80) SLC6A9SLC6A5GPR139

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-7964645-B2 Glycine transporter gene 1 (GlyT-1); psychosis, schizophrenia, dementia; activation of NMDA receptors via GlyT-1 inhibition; N-(([(4-chloro-phenyl)-phenyl-methyl]-carbamoyl)-methyl)-4-fluorobenzamide for example HOFFMANN-LA ROCHE INC. (US) 2011-06-21 US disclosed
US-7964645-B2 Glycine transporter gene 1 (GlyT-1); psychosis, schizophrenia, dementia; activation of NMDA receptors via GlyT-1 inhibition; N-(([(4-chloro-phenyl)-phenyl-methyl]-carbamoyl)-methyl)-4-fluorobenzamide for example HOFFMANN-LA ROCHE INC. (US) 2011-06-21 US disclosed
US-20080076806-A1 Di-aromatic substituted amides as inhibitors for GlyT-1 F. HOFFMANN-LA ROCHE AG (CH) 2008-03-27 US disclosed
WO-2008022938-A1 DI-AROMATIC SUBSTITUTED AMIDES AS INHIBITORS FOR GLYT1 F. HOFFMANN-LA ROCHE AG (CH) 2008-02-28 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-20080076806-A1 Di-aromatic substituted amides as inhibitors for GlyT-1 AGXT, SLC1A2, GRIA1 SLC6A9 43/4885SLC6A5 30/4885LMNA 3382/4885

“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.