SCHEMBL5456432

SCHEMBL5456432

COc1cccc(CNc2ccc(CC(=O)O)cc2)c1

nearest known ligand 0.76

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 7/20 0.76
HIF1A Q16665 2/20 0.70
GNA15 P30679 1/20 0.58
PTGER3 P43115 1/20 0.58
FFAR4 Q5NUL3 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.57
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
MAPT P10636 3/20 0.55
KDM4E B2RXH2 2/20 0.55
POLB P06746 1/20 0.55
USP2 O75604 1/20 0.54
ALDH1A1 P00352 1/20 0.54
GAA P10253 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
SCHEMBL27805773 0.88 HIF1A (0.65) FFAR1HIF1AGNA15PTGER3FFAR4
SCHEMBL11421875 0.85 HIF1A (0.72) FFAR1HIF1AMEN1KMT2AMAPT
SCHEMBL5454790 0.84 FFAR1 (0.74) FFAR1HIF1AFFAR4TDP1SMN1; SMN2
SCHEMBL30373777 0.82 HIF1A (0.76) HIF1ASMN1; SMN2MEN1KMT2AMAPT
SCHEMBL1134085 0.82 HIF1A (0.76) HIF1ASMN1; SMN2MEN1KMT2AMAPT
SCHEMBL229067 0.82 PTGS1 (0.67) TDP1SMN1; SMN2MEN1KMT2APOLB
SCHEMBL29824310 0.82 PTGS1 (0.67) TDP1SMN1; SMN2MEN1KMT2APOLB
SCHEMBL30687015 0.82 FFAR1 (0.65) FFAR1GNA15PTGER3FFAR4TDP1
SCHEMBL29129868 0.82 FFAR1 (0.65) FFAR1GNA15PTGER3FFAR4TDP1
SCHEMBL30687016 0.82 FFAR1 (0.65) FFAR1GNA15PTGER3FFAR4TDP1

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 1385/4885HIF1A 783/4885GNA15 1382/4885

“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.