SCHEMBL5111947

SCHEMBL5111947

O=C(O)c1cc(-c2ncc(Cl)cc2C(=O)O)ccc1Cl

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.56
TP53 P04637 2/20 0.56
XDH P47989 1/20 0.49
GRIK1 P39086 1/20 0.49
GRIA1 P42261 1/20 0.49
GRIA2 P42262 1/20 0.49
GRIA3 P42263 1/20 0.49
GRIA4 P48058 1/20 0.49
GRIK2 Q13002 1/20 0.49
GRIK3 Q13003 1/20 0.49
PTGER1 P34995 1/20 0.44
DHODH Q02127 2/20 0.42
PTGS2 P35354 1/20 0.42
KDM4E B2RXH2 3/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
MAPT P10636 2/20 0.41
POLB P06746 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
KMO O15229 4/20 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
SCHEMBL5115564 0.85 TP53 (0.40) ALDH1A1TP53XDHGRIK1GRIA1
SCHEMBL5118249 0.78 P2RX7 (0.55) NPC1RAB9A
SCHEMBL4184573 0.78 TSHR (0.56) ALDH1A1TP53XDHDHODHPTGS2
SCHEMBL30189226 0.78 DHODH (0.50) ALDH1A1DHODHNPC1RAB9AKMO
SCHEMBL5119318 0.78 P2RX7 (0.70)
SCHEMBL2771204 0.77 ALDH1A1 (0.68) ALDH1A1TP53XDHGRIK1GRIA1
SCHEMBL4880689 0.77 P2RX7 (0.67)
SCHEMBL3624974 0.76 PTGS1 (0.54) ALDH1A1GRIK1DHODHPTGS2KDM4E
SCHEMBL6174846 0.76 SMN1; SMN2 (0.52) ALDH1A1KDM4ENPC1RAB9AMAPT
SCHEMBL31239091 0.76 SMN1; SMN2 (0.52) ALDH1A1KDM4ENPC1RAB9AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080146612-A1 Novel Biaromatic Compounds, Inhibitors of the P2X7-Receptor ASTRAZENECA AB (SE) 2008-06-19 US disclosed
EP-1844003-A1 NOVEL BIAROMATIC COMPOUNDS, INHIBITORS OF THE P2X7-RECEPTOR AstraZeneca AB (SE) 2007-10-17 EP disclosed
WO-2006080884-A1 NOVEL BIAROMATIC COMPOUNDS, INHIBITORS OF THE P2X7-RECEPTOR ASTRAZENECA AB (SE) 2006-08-03 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-20080146612-A1 Novel Biaromatic Compounds, Inhibitors of the P2X7-Receptor P2RX2, P2RX1, ADORA1 ALDH1A1 719/4885TP53 2543/4885XDH 837/4885

“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.