SCHEMBL3458495

SCHEMBL3458495

O=Cc1cc2c(C(=O)O)cccn2n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 2/20 0.40
ALDH1A1 P00352 3/20 0.36
TDP1 Q9NUW8 3/20 0.36
POLB P06746 3/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
ALOX15 P16050 1/20 0.35
PARP1 P09874 1/20 0.35
RECQL P46063 1/20 0.35
LMNA P02545 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
APEX1 P27695 1/20 0.34
PDE4B Q07343 1/20 0.34
SPR P35270 2/20 0.33
APOBEC3A P31941 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
KDM4E B2RXH2 3/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33

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
SCHEMBL3458365 0.80 DHODH (0.36) DHODHALDH1A1TDP1POLBL3MBTL1
SCHEMBL8886936 0.78 DHODH (0.42) DHODHALDH1A1L3MBTL1ALOX15RECQL
SCHEMBL3460245 0.76 DHODH (0.41) DHODHALDH1A1TDP1POLBL3MBTL1
SCHEMBL14944141 0.76 HDAC2 (0.36)
SCHEMBL25372141 0.76 ALDH1A1 (0.34) ALDH1A1RECQLPDE4BKDM4EMAPT
SCHEMBL25373902 0.76 MAPK14 (0.33)
SCHEMBL25373432 0.76 PDE4B (0.36) ALDH1A1TDP1PDE4B
SCHEMBL18367335 0.75 RET (0.35) DHODHALDH1A1PARP1KDM4EHSD17B10
SCHEMBL25374163 0.72 TP53 (0.36) ALDH1A1TDP1POLBLMNAMAPT
SCHEMBL25373360 0.72 GAA (0.41) ALDH1A1TDP1L3MBTL1PDE4BKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140038955-A1 HETEROARYL AMIDE ANALOGUES AS P2X7 ANTAGONISTS H. LUNDBECK A/S (DK) 2014-02-06 US disclosed
US-8580812-B2 Heteroaryl amide analogues as P2X7 antagonists H. LUNDBECK A/S (DK) 2013-11-12 US disclosed
EP-2592082-A1 Heteroaryl amide analogues as p2x7 antagonists H. Lundbeck A/S (DK) 2013-05-15 EP disclosed
EP-2592082-A1 Heteroaryl amide analogues as p2x7 antagonists H. Lundbeck A/S (DK) 2013-05-15 EP disclosed
US-20100266509-A1 HETEROARYL AMIDE ANALOGUES AS P2X7 ANTAGONISTS H. Lindbeck A/S (DK) 2010-10-21 US disclosed
EP-2155744-A1 HETEROARYL AMIDE ANALOGUES AS P2X7 ANTAGONISTS Lundbeck, H., A/S (DK) 2010-02-24 EP disclosed
WO-2008124153-A1 HETEROARYL AMIDE ANALOGUES AS P2X7 ANTAGONISTS H. LUNDBECK A/S (DK) 2008-10-16 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-20100266509-A1 HETEROARYL AMIDE ANALOGUES AS P2X7 ANTAGONISTS P2RX7, P2RX3, P2RX2 DHODH 3234/4885ALDH1A1 2338/4885TDP1 1995/4885
US-20140038955-A1 HETEROARYL AMIDE ANALOGUES AS P2X7 ANTAGONISTS P2RX7, P2RX3, P2RX2 DHODH 3303/4885ALDH1A1 2733/4885TDP1 2393/4885

“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.