SCHEMBL5454790

SCHEMBL5454790

COc1ccc(CNc2ccc(CC(=O)O)cc2)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 4/20 0.74
KDM4E B2RXH2 2/20 0.70
POLB P06746 1/20 0.70
HIF1A Q16665 1/20 0.68
MAPT P10636 4/20 0.62
NPC1 O15118 3/20 0.62
RAB9A P51151 3/20 0.62
GAA P10253 2/20 0.62
L3MBTL1 Q9Y468 2/20 0.62
MEN1 O00255 1/20 0.62
KMT2A Q03164 1/20 0.62
CA12 O43570 1/20 0.58
CA1 P00915 1/20 0.58
CA2 P00918 1/20 0.58
CA9 Q16790 1/20 0.58
ALDH1A1 P00352 2/20 0.55
LMNA P02545 2/20 0.55
TDP1 Q9NUW8 1/20 0.55
HTT P42858 1/20 0.54
PTGS1 P23219 1/20 0.54

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
SCHEMBL10428819 0.86 FFAR1 (0.72) FFAR1KDM4EPOLBHIF1AMAPT
SCHEMBL28790472 0.86 FFAR1 (0.63) FFAR1KDM4EPOLBHIF1AMAPT
SCHEMBL5462008 0.85 KDM4E (0.77) FFAR1KDM4EPOLBMAPTNPC1
SCHEMBL5669873 0.85 MAPT (0.82) FFAR1KDM4EHIF1AMAPTNPC1
SCHEMBL1844199 0.85 MAPT (0.82) FFAR1KDM4EHIF1AMAPTNPC1
SCHEMBL10055019 0.85 MAPT (0.82) FFAR1KDM4EHIF1AMAPTNPC1
SCHEMBL240822 0.85 KDM4E (0.74) FFAR1KDM4EPOLBMAPTNPC1
SCHEMBL28935188 0.84 FFAR1 (0.69) FFAR1KDM4EPOLBHIF1AMAPT
SCHEMBL7820479 0.84 FFAR1 (0.69) FFAR1KDM4EPOLBHIF1AMAPT
SCHEMBL5456432 0.84 FFAR1 (0.76) FFAR1KDM4EPOLBHIF1AMAPT

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-20070010526-A1 Therapeutic isoquinoline compounds ASTRAZENECA AB (SE) 2007-01-11 US disclosed
CN-1608061-A Therapeutic isoquinoline compounds ASTRAZENECA AB (SE) 2005-04-20 CN disclosed
EP-1451172-A1 THERAPEUTIC ISOQUINOLINE COMPOUNDS AstraZeneca AB (SE) 2004-09-01 EP disclosed
WO-2003037887-A1 THERAPEUTIC ISOQUINOLINE COMPOUNDS ASTRAZENECA AB (SE) 2003-05-08 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-20070010526-A1 Therapeutic isoquinoline compounds HTR1B, HTR1D, HTR1A FFAR1 1385/4885KDM4E 1824/4885POLB 2352/4885

“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.