SCHEMBL6345911

SCHEMBL6345911

O=C(O)c1ccc2c(c1)c(Br)cc1ccccc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.59
GRIN2A Q12879 1/20 0.59
GRIN2C Q14957 1/20 0.59
ALDH1A1 P00352 4/20 0.54
CYP1A2 P05177 2/20 0.54
CYP2C9 P11712 1/20 0.54
PTPN1 P18031 1/20 0.51
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
RXFP1 Q9HBX9 2/20 0.50
CYP2C19 P33261 2/20 0.49
CYP2D6 P10635 1/20 0.49
HPGD P15428 3/20 0.47
MAPT P10636 1/20 0.47
PARP1 P09874 2/20 0.46
KDM4E B2RXH2 3/20 0.46
GLA P06280 1/20 0.46
HSD17B10 Q99714 1/20 0.46
CSNK2A1 P68400 1/20 0.44
TTR P02766 2/20 0.43

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
SCHEMBL10081747 0.90 GRIN2D (0.68) GRIN2DGRIN2AGRIN2CALDH1A1CYP1A2
SCHEMBL10080474 0.88 GRIN2D (0.53) GRIN2DGRIN2AGRIN2CALDH1A1CYP1A2
SCHEMBL15439625 0.86 GRIN2D (0.67) GRIN2DGRIN2AGRIN2CALDH1A1CYP1A2
SCHEMBL31742339 0.86 GRIN2D (0.67) GRIN2DGRIN2AGRIN2CALDH1A1CYP1A2
SCHEMBL10484184 0.86 GRIN2D (0.67) GRIN2DGRIN2AGRIN2CALDH1A1CYP1A2
SCHEMBL10484311 0.82 ALDH1A1 (0.68) GRIN2DGRIN2AGRIN2CALDH1A1CYP1A2
SCHEMBL2469905 0.82 GRIN2D (0.66) GRIN2DGRIN2AGRIN2CALDH1A1CYP1A2
SCHEMBL2469662 0.80 ALDH1A1 (0.70) GRIN2DGRIN2AGRIN2CALDH1A1CYP1A2
SCHEMBL10012830 0.80 GRIN2D (0.61) GRIN2DGRIN2AGRIN2CALDH1A1PTPN1
SCHEMBL2343264 0.80 GRIN2D (0.61) GRIN2DGRIN2AGRIN2CALDH1A1PTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6916816-B2 Phenanthryl piperazinyl dicarboxylic acids as selective NMDA receptor modulating agents THE BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA (US) 2005-07-12 US disclosed
EP-1244638-B1 PHENANTHRYL PIPERAZINYL DICARBOXYLIC ACIDS AS SELECTIVE NMDA RECEPTOR MODULATING AGENTS UNIV BRISTOL (GB) 2004-05-12 EP disclosed
US-20030078237-A1 Phenanthryl piperazinyl dicarboxylic acids as selective nmda receptor modulating agents US ARMY, SECRETARY OF THE ARMY 2003-04-24 US disclosed
EP-1244638-A2 PHENANTHRYL PIPERAZINYL DICARBOXYLIC ACIDS AS SELECTIVE NMDA RECEPTOR MODULATING AGENTS UNIVERSITY OF NEBRASKA BOARD OF REGENTS (US) 2002-10-02 EP disclosed
WO-2001044205-A2 PHENANTHRYL PIPERAZINYL DICARBOXYLIC ACIDS AS SELECTIVE NMDA RECEPTOR MODULATING AGENTS UNIVERSITY OF NEBRASKA BOARD OF REGENTS (US) 2001-06-21 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-20030078237-A1 Phenanthryl piperazinyl dicarboxylic acids as selective nmda receptor modulating agents GRIK2, GRIK3, GRIK5 GRIN2D 13/4885GRIN2A 8/4885GRIN2C 7/4885

“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.