SCHEMBL4876545

SCHEMBL4876545

O=C(O)c1cc(-c2cccnc2C(=O)O)ccc1Cl

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.51
KDM4E B2RXH2 2/20 0.51
CYP3A4 P08684 1/20 0.51
MAPT P10636 1/20 0.51
ALOX15 P16050 1/20 0.51
TSHR P16473 1/20 0.51
BLM P54132 1/20 0.51
AGER Q15109 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
PTGER1 P34995 1/20 0.51
TP53 P04637 1/20 0.49
EIF4E P06730 3/20 0.48
LMNA P02545 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
DHODH Q02127 1/20 0.44
XDH P47989 1/20 0.44
GRIK1 P39086 1/20 0.43
GRIA1 P42261 1/20 0.43
GRIA2 P42262 1/20 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
SCHEMBL27698866 0.87 PTGER1 (0.48) ALDH1A1KDM4ECYP3A4MAPTALOX15
SCHEMBL4880618 0.84 PTGER1 (0.41) ALDH1A1KDM4ECYP3A4MAPTALOX15
SCHEMBL28790611 0.79 KMO (0.51) ALDH1A1KDM4ECYP3A4MAPTALOX15
SCHEMBL4881566 0.78 ALDH1A1 (0.58) ALDH1A1KDM4EMAPTPTGER1TP53
SCHEMBL5115577 0.78 P2RX7 (0.69) ALDH1A1KDM4EMEN1GAAKMT2A
SCHEMBL5111394 0.77 P2RX7 (0.73)
SCHEMBL5114810 0.76 P2RX7 (0.57) ALDH1A1KDM4EMEN1GAAKMT2A
SCHEMBL2406561 0.76 MAPT (0.46) ALDH1A1KDM4ECYP3A4MAPTALOX15
SCHEMBL1785035 0.76 P2RX7 (0.60) ALDH1A1KDM4EMAPTL3MBTL1PTGER1
SCHEMBL287699 0.76 KDM4E (0.57) ALDH1A1KDM4ECYP3A4MAPTALOX15

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
US-20080153850-A1 Adamantyl Derivates as P2x7 Receptor Antagonists ASTRAZENECA AB (SE) 2008-06-26 US disclosed
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
EP-1786786-A1 ADAMANTYL DERIVATES AS P2X7 RECEPTOR ANTAGONISTS AstraZeneca AB (SE) 2007-05-23 EP disclosed
WO-2006080884-A1 NOVEL BIAROMATIC COMPOUNDS, INHIBITORS OF THE P2X7-RECEPTOR ASTRAZENECA AB (SE) 2006-08-03 WO disclosed
WO-2006025783-A1 ADAMANTYL DERIVATES AS P2X7 RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2006-03-09 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 (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-20080146612-A1 Novel Biaromatic Compounds, Inhibitors of the P2X7-Receptor P2RX2, P2RX1, ADORA1 ALDH1A1 719/4885KDM4E 3654/4885CYP3A4 641/4885
US-20080153850-A1 Adamantyl Derivates as P2x7 Receptor Antagonists ADORA1, P2RX1, P2RY1 ALDH1A1 744/4885KDM4E 4115/4885CYP3A4 1171/4885

“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.