SCHEMBL6466596

SCHEMBL6466596

NC(=O)C1C(=O)Cc2ccccc21

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 6/20 0.56
ALDH1A1 P00352 1/20 0.53
GAA P10253 1/20 0.53
HDAC4 P56524 1/20 0.51
HDAC7 Q8WUI4 1/20 0.51
HDAC5 Q9UQL6 1/20 0.51
ATM Q13315 1/20 0.46
HTR2A P28223 4/20 0.44
LMNA P02545 1/20 0.41
HRH1 P35367 2/20 0.40
HTR2C P28335 1/20 0.40

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
SCHEMBL15075053 0.86 ALDH1A1 (0.62) ANPEPALDH1A1GAAHDAC4HDAC7
SCHEMBL6045078 0.83 ANPEP (0.53) ANPEPALDH1A1GAAHDAC4HDAC7
SCHEMBL11764934 0.80 ANPEP (0.50) ANPEPALDH1A1GAAHDAC4HDAC7
Cyheptamide SCHEMBL667894 0.79 ALDH1A1 (0.62) ALDH1A1GAAHDAC4HDAC7HDAC5
Cyheptamide SCHEMBL29400142 0.79 ALDH1A1 (0.62) ALDH1A1GAAHDAC4HDAC7HDAC5
SCHEMBL1207850 0.77 HDAC4 (0.51) ANPEPHDAC4HDAC7HDAC5HTR2A
SCHEMBL1998760 0.74 HDAC4 (0.44) ANPEPALDH1A1GAAHDAC4HDAC7
SCHEMBL30873765 0.73 ANPEP (0.60) ANPEPGAAHTR2ALMNAHRH1
SCHEMBL4959541 0.73 ANPEP (0.60) ANPEPGAAHTR2ALMNAHRH1
SCHEMBL6514594 0.72 ANPEP (0.59) ANPEPHDAC4HDAC7HDAC5HTR2A

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-20050197350-A1 Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof TAISHO PHARMACEUTICAL CO., LTD. 2005-09-08 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-20050197350-A1 Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof HCRTR2, MCHR1, MCHR2 ANPEP 2278/4885ALDH1A1 2036/4885GAA 484/4885

“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.