SCHEMBL5452393

SCHEMBL5452393

COc1ccc(NC(=O)Nc2ccc(CC(=O)N3CCc4c(OC)ccc(N5CCN(C)CC5)c4C3)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.51
ABCB1 P08183 1/20 0.49
ABCC1 P33527 1/20 0.49
CCNC P24863 1/20 0.47
CDK8 P49336 1/20 0.47
HTR1A P08908 3/20 0.47
HTR1D P28221 3/20 0.47
HTR1B P28222 3/20 0.47
KDM4E B2RXH2 1/20 0.44
POLB P06746 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
GFER P55789 2/20 0.44
ALDH1A1 P00352 3/20 0.43
MEN1 O00255 1/20 0.43
USP2 O75604 1/20 0.43
HPGD P15428 1/20 0.43
ALOX15 P16050 1/20 0.43
KMT2A Q03164 1/20 0.43
HSD17B10 Q99714 1/20 0.43
NAMPT P43490 1/20 0.43

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
SCHEMBL5446341 0.93 MAPT (0.59) MAPTABCB1ABCC1HTR1AHTR1D
SCHEMBL5457933 0.92 HTR1A (0.49) MAPTABCB1ABCC1CCNCCDK8
SCHEMBL5456931 0.90 MAPT (0.50) MAPTABCB1ABCC1HTR1AHTR1D
SCHEMBL14596914 0.88 ALDH1A1 (0.49) MAPTABCB1ABCC1HTR1AHTR1D
SCHEMBL5454903 0.87 NPC1 (0.53) MAPTHTR1AHTR1DHTR1BSMN1; SMN2
SCHEMBL5445301 0.86 ABCB1 (0.49) MAPTABCB1HTR1AHTR1DHTR1B
SCHEMBL5461787 0.85 GFER (0.50) MAPTABCB1ABCC1HTR1AHTR1D
SCHEMBL5449891 0.85 GFER (0.47) MAPTABCB1ABCC1HTR1AHTR1D
SCHEMBL5458927 0.85 MTHFD2 (0.47) MAPTABCB1ABCC1HTR1AHTR1D
SCHEMBL5445133 0.85 CACNA1G (0.42) MAPTABCB1ABCC1HTR1AHTR1D

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 3 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

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 MAPT 577/4885ABCB1 2319/4885ABCC1 3005/4885

“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.