SCHEMBL414680

SCHEMBL414680

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.47
CHRNA4 P43681 1/20 0.47
HDAC8 Q9BY41 9/20 0.45
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 3/20 0.41
MAPT P10636 2/20 0.41
HPGD P15428 2/20 0.41
HSD17B10 Q99714 2/20 0.41
GLA P06280 1/20 0.41
GAA P10253 1/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
ATM Q13315 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
XDH P47989 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41

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
SCHEMBL460449 0.82 HDAC8 (0.60) HDAC8
SCHEMBL464349 0.81 HDAC8 (0.51) CHRNB2CHRNA4HDAC8KDM4EALDH1A1
SCHEMBL24650415 0.79 KDM4E (0.47) CHRNB2CHRNA4KDM4EALDH1A1MAPT
SCHEMBL4637133 0.79 KDM4E (0.47) CHRNB2CHRNA4KDM4EALDH1A1MAPT
SCHEMBL18526107 0.75 CHRNB2 (0.47) CHRNB2CHRNA4KDM4EALDH1A1MAPT
SCHEMBL288320 0.75 MAPT (0.54) CHRNB2CHRNA4HDAC8KDM4EALDH1A1
SCHEMBL30445913 0.75 MAPT (0.54) CHRNB2CHRNA4HDAC8KDM4EALDH1A1
SCHEMBL10247424 0.74 DRD2 (0.57) ALDH1A1MAPTHSD17B10
SCHEMBL355227 0.74 DRD2 (0.57) ALDH1A1MAPTHSD17B10
SCHEMBL10247342 0.74 DRD2 (0.57) ALDH1A1MAPTHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 CHRNB2 4439/4885CHRNA4 4033/4885HDAC8 304/4885

“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.