SCHEMBL5454905

SCHEMBL5454905

COc1cccc(CNS(=O)(=O)c2ccc(CC(=O)N3CCc4c(OC)ccc(N5CCN(C)CC5)c4C3)cc2)c1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
MAPT P10636 2/20 0.48
POLB P06746 3/20 0.47
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
GAA P10253 1/20 0.47
THRB P10828 1/20 0.45
LMNA P02545 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
HPGD P15428 1/20 0.44
HTR6 P50406 2/20 0.44
DGAT1 O75907 1/20 0.44
MGAT3 Q09327 1/20 0.44
MGAT2 Q10469 1/20 0.44

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
SCHEMBL5465837 0.92 USP2 (0.49) PKMSMN1; SMN2MAPTPOLBKMT2A
SCHEMBL5455125 0.92 LMNA (0.51) SMN1; SMN2MAPTPOLBKMT2AMEN1
SCHEMBL14596937 0.89 HTR1A (0.50) PKMSMN1; SMN2MAPTPOLBKMT2A
SCHEMBL14596912 0.89 HTR6 (0.49) SMN1; SMN2POLBKMT2AMEN1ALDH1A1
SCHEMBL5452185 0.88 HTR1A (0.46) MAPTKMT2AALDH1A1GAATDP1
SCHEMBL5455208 0.87 THRB (0.47) MAPTPOLBKMT2AMEN1GAA
SCHEMBL5452488 0.87 LMNA (0.42) SMN1; SMN2MAPTPOLBKMT2AMEN1
SCHEMBL5456965 0.85 TP53 (0.47) SMN1; SMN2MAPTPOLBKMT2AMEN1
SCHEMBL5454876 0.85 HTR6 (0.43) SMN1; SMN2MAPTKMT2AMEN1ALDH1A1
SCHEMBL5451045 0.84 MAPT (0.45) SMN1; SMN2MAPTPOLBKMT2AMEN1

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
US-20070010526-A1 Therapeutic isoquinoline compounds ASTRAZENECA AB (SE) 2007-01-11 US disclosed
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

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 PKM 821/4885SMN1; SMN2 773/4885MAPT 577/4885

“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.