SCHEMBL5456965

SCHEMBL5456965

CCCNS(=O)(=O)c1ccc(CC(=O)N2CCc3c(OC)ccc(N4CCN(C)CC4)c3C2)cc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.47
ALDH1A1 P00352 6/20 0.46
MAPT P10636 3/20 0.46
LMNA P02545 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
HTT P42858 2/20 0.46
POLB P06746 1/20 0.46
HTR6 P50406 6/20 0.42
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.41
GAA P10253 1/20 0.41
MAPK1 P28482 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
ALOX15 P16050 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL5452488 0.93 LMNA (0.42) ALDH1A1MAPTLMNASMN1; SMN2HTT
SCHEMBL5454876 0.90 HTR6 (0.43) ALDH1A1MAPTLMNASMN1; SMN2HTT
SCHEMBL5455125 0.89 LMNA (0.51) ALDH1A1MAPTLMNASMN1; SMN2POLB
SCHEMBL5465837 0.89 USP2 (0.49) ALDH1A1MAPTLMNASMN1; SMN2HTT
SCHEMBL5450989 0.87 GAA (0.52) ALDH1A1MAPTLMNASMN1; SMN2HTT
SCHEMBL5451045 0.87 MAPT (0.45) ALDH1A1MAPTLMNASMN1; SMN2HTT
SCHEMBL5455208 0.87 THRB (0.47) MAPTLMNAHTTPOLBHTR6
SCHEMBL5457016 0.87 ALDH1A1 (0.45) ALDH1A1MAPTLMNASMN1; SMN2HTT
SCHEMBL14596939 0.87 HTR1A (0.46) TP53ALDH1A1HTR6KDM4EMEN1
SCHEMBL5452778 0.86 CA1 (0.43) ALDH1A1MAPTLMNASMN1; SMN2HTR6

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 TP53 4854/4885ALDH1A1 816/4885MAPT 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.