SCHEMBL5450104

SCHEMBL5450104

O=C(O)Cc1ccc(NCCOCc2ccccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 4/20 0.52
AKR1B1 P15121 1/20 0.50
SMN1; SMN2 Q16637 3/20 0.49
HTT P42858 2/20 0.49
RAB9A P51151 1/20 0.49
GFER P55789 1/20 0.49
LMNA P02545 2/20 0.47
ENPP2 Q13822 1/20 0.45
ABCC4 O15439 1/20 0.45
GAA P10253 1/20 0.45
TSHR P16473 1/20 0.45
PTGS1 P23219 1/20 0.45
NR1H4 Q96RI1 1/20 0.43
RORC P51449 2/20 0.43
CA2 P00918 1/20 0.43
CAMK2A Q9UQM7 1/20 0.43
FFAR4 Q5NUL3 1/20 0.43
ALDH1A1 P00352 1/20 0.42
MAPK1 P28482 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL10758567 0.87 HPGD (0.51) SMN1; SMN2HTTRAB9ALMNAGAA
SCHEMBL5457081 0.84 MAPT (0.52) SMN1; SMN2HTTLMNATSHRRORC
SCHEMBL414823 0.82 TSHR (0.54) SMN1; SMN2HTTLMNATSHRALDH1A1
SCHEMBL10758749 0.81 TDP1 (0.48) FFAR1SMN1; SMN2HTTLMNAGAA
SCHEMBL10758348 0.80 HPGD (0.49) SMN1; SMN2HTTRAB9ALMNAGAA
SCHEMBL419015 0.80 KCNH3 (0.47) SMN1; SMN2HTTRAB9ALMNAGAA
SCHEMBL5452313 0.80 L3MBTL1 (0.61) FFAR1AKR1B1SMN1; SMN2HTTRAB9A
SCHEMBL9335414 0.78 TSHR (0.45) SMN1; SMN2HTTRAB9ALMNAGAA
SCHEMBL6107307 0.77 NAAA (0.47) FFAR1SMN1; SMN2HTTGFERGAA
SCHEMBL10756349 0.77 HTT (0.44) FFAR1SMN1; SMN2HTTLMNATSHR

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 1385/4885AKR1B1 1913/4885SMN1; SMN2 773/4885

“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.