SCHEMBL5455128

SCHEMBL5455128

O=C(O)Cc1ccc(C=S)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.56
CAMK2A Q9UQM7 1/20 0.56
AKR1B1 P15121 1/20 0.54
LMNA P02545 2/20 0.52
GAA P10253 2/20 0.52
TSHR P16473 2/20 0.52
ABCC4 O15439 1/20 0.52
PTGS1 P23219 1/20 0.52
HTT P42858 1/20 0.52
ALDH1A1 P00352 3/20 0.47
HPGD P15428 3/20 0.47
HSD17B10 Q99714 3/20 0.47
FFAR1 O14842 1/20 0.47
POLB P06746 2/20 0.46
NSD2 O96028 1/20 0.46
GRK2 P25098 1/20 0.46
CASP6 P55212 1/20 0.46
CTDSP1 Q9GZU7 1/20 0.46
KDM4E B2RXH2 2/20 0.45
MAPT P10636 2/20 0.45

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
SCHEMBL10804149 0.81 CA2 (0.34) CA2CAMK2AAKR1B1LMNAGAA
SCHEMBL69614 0.81 CA2 (0.79) CA2CAMK2AAKR1B1LMNAGAA
SCHEMBL225479 0.80 CA2 (0.58) CA2CAMK2AAKR1B1LMNAGAA
SCHEMBL28179511 0.78 CA2 (0.56) CA2CAMK2AAKR1B1LMNAGAA
SCHEMBL11427146 0.78 CA2 (0.56) CA2CAMK2AAKR1B1LMNAGAA
SCHEMBL598224 0.78 CA2 (0.56) CA2CAMK2AAKR1B1LMNAGAA
SCHEMBL11427147 0.78 CA2 (0.56) CA2CAMK2AAKR1B1LMNAGAA
Hydrochloric Acid SCHEMBL25180348 0.78 CA2 (0.75) CA2CAMK2AAKR1B1LMNAGAA
Hydrochloric Acid SCHEMBL6765874 0.78 CA2 (0.75) CA2CAMK2AAKR1B1LMNAGAA
SCHEMBL6312946 0.77 AKR1B1 (0.64) CA2CAMK2AAKR1B1LMNAGAA

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 5 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
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
US-4073936-A Hypolipidemic allene carboxylic esters SANDOZ, INC. (US) 1978-02-14 US disclosed
US-4011339-A ANTIINFLAMMATORY AGENTS SANDOZ, INC. (US) 1977-03-08 US 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 CA2 4522/4885CAMK2A 1031/4885AKR1B1 1913/4885

“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.