SCHEMBL5457933

SCHEMBL5457933

COc1cccc(NC(=O)Nc2ccc(CC(=O)N3CCc4c(OC)ccc(N5CCN(C)CC5)c4C3)cc2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 5/20 0.49
HTR1D P28221 5/20 0.49
HTR1B P28222 5/20 0.49
CCNC P24863 1/20 0.49
CDK8 P49336 1/20 0.49
MAPT P10636 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
POLB P06746 1/20 0.46
HTR2A P28223 1/20 0.45
HTR2C P28335 1/20 0.45
HTR7 P34969 1/20 0.45
HTR6 P50406 1/20 0.45
ALDH1A1 P00352 1/20 0.44
ABCB1 P08183 1/20 0.43
ABCC1 P33527 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
SCHEMBL5452393 0.92 MAPT (0.51) HTR1AHTR1DHTR1BCCNCCDK8
SCHEMBL5452185 0.87 HTR1A (0.46) HTR1AHTR1DHTR1BMAPTKMT2A
SCHEMBL14596912 0.87 HTR6 (0.49) HTR1AHTR1DHTR1BSMN1; SMN2MEN1
SCHEMBL5446341 0.85 MAPT (0.59) HTR1AHTR1DHTR1BMAPTSMN1; SMN2
SCHEMBL5454903 0.84 NPC1 (0.53) HTR1AHTR1DHTR1BMAPTSMN1; SMN2
SCHEMBL5445301 0.84 ABCB1 (0.49) HTR1AHTR1DHTR1BMAPTSMN1; SMN2
SCHEMBL5456931 0.83 MAPT (0.50) HTR1AHTR1DHTR1BMAPTSMN1; SMN2
SCHEMBL5465922 0.82 L3MBTL1 (0.48) HTR1AHTR1DHTR1BMAPTKMT2A
SCHEMBL5445015 0.82 NPC1 (0.58) HTR1AHTR1DHTR1BMAPTKMT2A
SCHEMBL5464302 0.82 NPC1 (0.46) HTR1AHTR1DHTR1BKMT2ANPC1

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
WO-2020183011-A1 HTR1D INHIBITORS AND USES THEREOF IN THE TREATMENT OF CANCER INSTITUT CURIE (FR) 2020-09-17 WO 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
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 HTR1A 3/4885HTR1D 2/4885HTR1B 1/4885

“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.