SCHEMBL415810

SCHEMBL415810

COC(=O)c1cc2c(cc1F)CCC(NCl)C2

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 5/20 0.48
MTNR1A P48039 3/20 0.40
MTNR1B P49286 3/20 0.40
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CA1 P00915 8/20 0.38
CA2 P00918 8/20 0.38
ACHE P22303 8/20 0.38
ADRB1 P08588 1/20 0.35
ADRB3 P13945 1/20 0.35
HDAC6 Q9UBN7 1/20 0.34

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
SCHEMBL469843 0.88 HDAC8 (0.47) HDAC8MTNR1AMTNR1BALDH1A1HPGD
SCHEMBL415355 0.82 MTNR1A (0.41) HDAC8MTNR1AMTNR1BCA1CA2
SCHEMBL464353 0.81 HDAC8 (0.76) HDAC8ALDH1A1HPGDTSHRHSD17B10
SCHEMBL416742 0.81 MAPT (0.47) ALDH1A1HSD17B10ACHE
SCHEMBL469741 0.81 HDAC8 (0.53) HDAC8HDAC6
SCHEMBL469867 0.80 HDAC8 (0.63) HDAC8ALDH1A1HPGDTSHRHSD17B10
SCHEMBL883735 0.77 RAB9A (0.42) ALDH1A1HPGDTSHRHSD17B10CA1
SCHEMBL464149 0.76 MTNR1A (0.50) HDAC8MTNR1AMTNR1BCA1CA2
SCHEMBL17269807 0.73 ALDH1A1 (0.42) MTNR1AMTNR1BALDH1A1HPGDTSHR
SCHEMBL803162 0.72 ACHE (0.42) ALDH1A1HPGDTSHRHSD17B10ACHE

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 6 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
US-8716285-B2 N-hydroxy-benzamids for the treatment of cancer HOFFMANN-LA ROCHE INC. (US) 2014-05-06 US disclosed
US-20120065204-A1 NOVEL N-HYDROXY-BENZAMIDS FOR THE TREATMENT OF CANCER F. HOFFMANN-LA ROCHE AG (CH) 2012-03-15 US 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 HDAC8 304/4885MTNR1A 2044/4885MTNR1B 1569/4885

“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.