SCHEMBL464349

SCHEMBL464349

COC(=O)c1ccc2c(c1)CC(NCl)CN2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 12/20 0.51
CHRNB2 P17787 1/20 0.45
CHRNA4 P43681 1/20 0.45
EPHX2 P34913 1/20 0.41
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
XDH P47989 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
HSD17B10 Q99714 2/20 0.38
KDM4E B2RXH2 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAPK1 P28482 1/20 0.38
ALOX15 P16050 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL469869 0.82 HDAC8 (0.76) HDAC8HDAC6
SCHEMBL414680 0.81 CHRNB2 (0.47) HDAC8CHRNB2CHRNA4CA12CA1
SCHEMBL10192710 0.77 HDAC8 (0.85) HDAC8SMN1; SMN2MAPK1ALDH1A1LMNA
SCHEMBL464149 0.76 MTNR1A (0.50) HDAC8HDAC6CA1CA2
SCHEMBL18526107 0.73 CHRNB2 (0.47) CHRNB2CHRNA4CA12CA1CA2
SCHEMBL288320 0.73 MAPT (0.54) HDAC8CHRNB2CHRNA4HDAC1HDAC6
SCHEMBL30445913 0.73 MAPT (0.54) HDAC8CHRNB2CHRNA4HDAC1HDAC6
Hydrochloric Acid SCHEMBL699425 0.72 MAPT (0.53) HDAC8CHRNB2CHRNA4HDAC1HDAC6
SCHEMBL27930369 0.71 MAPT (0.53) CHRNB2CHRNA4CA12CA1CA2
SCHEMBL45146 0.71 MAPT (0.68) CHRNB2CHRNA4CA12CA1CA2

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 4 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-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 304/4885CHRNB2 4439/4885CHRNA4 4033/4885

“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.