SCHEMBL5446291

SCHEMBL5446291

COc1ccccc1CNc1ccc(CC(=O)O)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 4/20 0.69
RAB9A P51151 2/20 0.64
GFER P55789 1/20 0.64
SMN1; SMN2 Q16637 1/20 0.64
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
NPC1 O15118 1/20 0.60
FFAR1 O14842 2/20 0.57
ALDH1A1 P00352 3/20 0.56
POLB P06746 1/20 0.52
KDM4E B2RXH2 1/20 0.52
GAA P10253 1/20 0.52
MAPT P10636 1/20 0.52
ALOX15 P16050 1/20 0.52
TSHR P16473 1/20 0.52
MAPK1 P28482 1/20 0.52
HTT P42858 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
TAAR1 Q96RJ0 1/20 0.51

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
SCHEMBL27826388 0.88 HIF1A (0.64) HIF1ARAB9AGFERSMN1; SMN2MEN1
SCHEMBL5465814 0.84 HIF1A (0.60) HIF1ARAB9AMEN1KMT2ANPC1
SCHEMBL4820844 0.83 HIF1A (0.72) HIF1ARAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL30287924 0.82 HIF1A (0.74) HIF1AMEN1KMT2AALDH1A1KDM4E
SCHEMBL10388545 0.82 HIF1A (0.74) HIF1AMEN1KMT2AALDH1A1KDM4E
SCHEMBL10018553 0.81 RAB9A (0.69) RAB9AGFERSMN1; SMN2NPC1FFAR1
SCHEMBL6607377 0.79 GAA (0.62) RAB9AMEN1KMT2ANPC1ALDH1A1
SCHEMBL17550637 0.79 KMT2A (0.64) HIF1ASMN1; SMN2KMT2AALOX15
SCHEMBL28906915 0.77 HIF1A (0.64) HIF1ASMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL6237822 0.77 FFAR1 (0.75) RAB9AGFERSMN1; SMN2FFAR1GAA

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 HIF1A 783/4885RAB9A 838/4885GFER 4719/4885

“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.