SCHEMBL22004359

SCHEMBL22004359

C=c1ccccc(=C)n(C)c(-c2cccnn2)c1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 9/20 0.42
HTR2A P28223 2/20 0.37
HTR2B P41595 1/20 0.34
PDE10A Q9Y233 1/20 0.32
HDAC6 Q9UBN7 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A3 Q01959 1/20 0.31

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
SCHEMBL22004344 0.81 KDM4E (0.41)
SCHEMBL22004298 0.75 RAB9A (0.38)
SCHEMBL22004370 0.73
SCHEMBL22003760 0.73 CYP2C9 (0.48)
SCHEMBL22004356 0.72 KMT2A (0.53) HTR2CHTR2AHTR2BPDE10A
SCHEMBL22836852 0.65 HTR2C (0.46) HTR2CHTR2AHTR2B
SCHEMBL22005098 0.65 ACLY (0.50) HTR2CHTR2AHTR2B
SCHEMBL1456807 0.63 GOT1 (0.46) HTR2CHTR2AHTR2B
SCHEMBL29442588 0.63 GOT1 (0.46) HTR2CHTR2AHTR2B
SCHEMBL30792004 0.63 GOT1 (0.46) HTR2CHTR2AHTR2B

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200157076-A1 ACLY INHIBITORS AND USES THEREOF NIMBUS DISCOVERY, INC. 2020-05-21 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-20200157076-A1 ACLY INHIBITORS AND USES THEREOF ACLY, ATP5ME, ATP5MG HTR2C 4884/4885HTR2A 4857/4885HTR2B 4861/4885

“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.