SCHEMBL2013758

SCHEMBL2013758

O/N=C(/c1ccccc1)c1cccnn1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 2/20 0.52
HPGD P15428 4/20 0.41
ALDH1A1 P00352 2/20 0.41
GFER P55789 2/20 0.41
AGTR1 P30556 2/20 0.41
P2RX7 Q99572 1/20 0.41
KMT2A Q03164 3/20 0.39
KDM4E B2RXH2 3/20 0.39
CES1 P23141 1/20 0.39
MAPT P10636 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
POLB P06746 1/20 0.38
XBP1 P17861 1/20 0.38
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
ALOX12 P18054 1/20 0.38
MAPK14 Q16539 1/20 0.36
VNN1 O95497 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL2013760 1.00 TBXA2R (0.52) TBXA2RHPGDALDH1A1GFERAGTR1
SCHEMBL11768655 0.81 AGTR1 (0.58) HPGDALDH1A1AGTR1KMT2AKDM4E
SCHEMBL29498791 0.81 AGTR1 (0.58) HPGDALDH1A1AGTR1KMT2AKDM4E
SCHEMBL322444 0.81 AGTR1 (0.58) HPGDALDH1A1AGTR1KMT2AKDM4E
SCHEMBL322443 0.81 AGTR1 (0.58) HPGDALDH1A1AGTR1KMT2AKDM4E
SCHEMBL6600285 0.76 P2RX7 (0.46) TBXA2RALDH1A1P2RX7KMT2ACES1
SCHEMBL27955861 0.73 TBXA2R (0.44) TBXA2RALDH1A1P2RX7KMT2ACES1
SCHEMBL3992842 0.73 KMT2A (0.60) TBXA2RHPGDALDH1A1P2RX7KMT2A
SCHEMBL14147074 0.73 TBXA2R (0.53) TBXA2RHPGDALDH1A1GFERAGTR1
SCHEMBL11158089 0.73 TBXA2R (0.53) TBXA2RHPGDALDH1A1GFERAGTR1

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
EP-2066620-A1 DI-AROMATIC SUBSTITUTED AMIDES AS INHIBITORS FOR GLYT1 F. Hoffmann-Roche AG (CH) 2009-06-10 EP 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 TBXA2R 3620/4885HPGD 3213/4885ALDH1A1 413/4885

“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.