SCHEMBL8401335

SCHEMBL8401335

CCNC(=O)Cc1c(C)[nH]c2ccc(OC)cc12

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C2 P52895 1/20 0.70
MTNR1A P48039 3/20 0.63
MTNR1B P49286 3/20 0.63
HTR1D P28221 2/20 0.55
HTR6 P50406 2/20 0.55
MAPT P10636 4/20 0.54
ALDH1A1 P00352 3/20 0.54
KDM4E B2RXH2 2/20 0.54
MCL1 Q07820 1/20 0.54
RXFP1 Q9HBX9 1/20 0.54
HTR1A P08908 1/20 0.53
SLC6A2 P23975 1/20 0.53
HTR1E P28566 1/20 0.53
HTR7 P34969 1/20 0.53
HTR5A P47898 1/20 0.53
HDAC1 Q13547 5/20 0.53
HPGD P15428 1/20 0.52
HSD17B10 Q99714 1/20 0.52
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52

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
SCHEMBL7960856 0.88 AKR1C2 (0.67) AKR1C2MTNR1AMTNR1BHTR1DHTR6
Deboxamet SCHEMBL186946 0.87 AKR1C2 (0.74) AKR1C2MTNR1AMTNR1BHTR1DHTR6
SCHEMBL8270880 0.87 AKR1C2 (0.74) AKR1C2MTNR1AMTNR1BHTR1DHTR6
Deboxamet SCHEMBL29387753 0.87 AKR1C2 (0.74) AKR1C2MTNR1AMTNR1BHTR1DHTR6
SCHEMBL8110763 0.85 AKR1C2 (0.70) AKR1C2MTNR1AMTNR1BHTR1DHTR6
SCHEMBL7696769 0.85 AKR1C2 (0.67) AKR1C2MTNR1AMTNR1BKDM4EHDAC1
SCHEMBL30604527 0.84 AKR1C2 (0.78) AKR1C2MTNR1AMTNR1BHTR1DHTR6
SCHEMBL6825151 0.84 AKR1C2 (0.78) AKR1C2MTNR1AMTNR1BHTR1DHTR6
SCHEMBL17447391 0.83 AKR1C2 (0.61) AKR1C2MTNR1AMTNR1BHTR1DHTR6
SCHEMBL8587020 0.83 AKR1C2 (0.61) AKR1C2MTNR1AMTNR1BHTR1DHTR6

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-20070293530-A1 SULFAMIDE AND SULFAMATE DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS METHYLGENE INC. (CA) 2007-12-20 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-20070293530-A1 SULFAMIDE AND SULFAMATE DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC11, HAT1 AKR1C2 1101/4885MTNR1A 683/4885MTNR1B 1186/4885

“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.