SCHEMBL444654

SCHEMBL444654

NC(=O)c1c(C(=O)O)ccc2c1CC(NC=O)CC2

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.39
DRD2 P14416 1/20 0.39
MTNR1A P48039 7/20 0.34
MTNR1B P49286 7/20 0.34
HTR1D P28221 1/20 0.33
HTR1B P28222 1/20 0.33
ADRB3 P13945 3/20 0.33
ADRB1 P08588 2/20 0.33
CYP1A2 P05177 1/20 0.32
MAPT P10636 1/20 0.32
CYP2C9 P11712 1/20 0.32
ALOX15 P16050 1/20 0.32
DRD3 P35462 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
SCHEMBL447087 0.81 HTR1A (0.38) HTR1ADRD2MTNR1AMTNR1BCYP1A2
SCHEMBL445296 0.78 HDAC8 (0.50) HTR1ADRD2MTNR1AMTNR1BADRB3
SCHEMBL445407 0.78 HDAC8 (0.50) HTR1ADRD2
SCHEMBL444506 0.77 HDAC8 (0.53) MAPTALOX15
SCHEMBL442641 0.76 HDAC8 (0.52) HTR1ADRD2MTNR1AMTNR1B
SCHEMBL442976 0.75 HDAC8 (0.53)
SCHEMBL443905 0.74 HDAC8 (0.56) CYP1A2MAPT
SCHEMBL444530 0.72 HDAC8 (0.56)
SCHEMBL446238 0.72 HDAC8 (0.58) CYP1A2MAPTCYP2C9
SCHEMBL444145 0.72 HDAC8 (0.59) HTR1ADRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2613775-B1 N-HYDROXY-BENZAMIDES FOR THE TREATMENT OF CANCER HOFFMANN LA ROCHE (CH) 2014-07-30 EP disclosed
US-8716285-B2 N-hydroxy-benzamids for the treatment of cancer HOFFMANN-LA ROCHE INC. (US) 2014-05-06 US disclosed
EP-2613775-A1 NOVEL N-HYDROXY-BENZAMIDES FOR THE TREATMENT OF CANCER F.HOFFMANN-LA ROCHE AG (CH) 2013-07-17 EP disclosed
US-20120065204-A1 NOVEL N-HYDROXY-BENZAMIDS FOR THE TREATMENT OF CANCER F. HOFFMANN-LA ROCHE AG (CH) 2012-03-15 US disclosed
WO-2012031993-A1 NOVEL N-HYDROXY-BENZAMIDES FOR THE TREATMENT OF CANCER F. HOFFMANN-LA ROCHE AG (CH) 2012-03-15 WO 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-20120065204-A1 NOVEL N-HYDROXY-BENZAMIDS FOR THE TREATMENT OF CANCER HNMT, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, HRAS HTR1A 717/4885DRD2 3102/4885MTNR1A 2044/4885

“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.