SCHEMBL446231

SCHEMBL446231

NC(=O)N1CC(N)Cc2cc(C(=O)O)ccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.41
HSD17B10 Q99714 4/20 0.41
GAA P10253 3/20 0.41
POLB P06746 3/20 0.41
TDP1 Q9NUW8 3/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NR4A1 P22736 1/20 0.41
PDK1 Q15118 1/20 0.39
PDK2 Q15119 1/20 0.39
PDK3 Q15120 1/20 0.39
PDK4 Q16654 1/20 0.39
ALDH1A1 P00352 3/20 0.38
KDM1A O60341 2/20 0.37
MAPT P10636 3/20 0.35
HPGD P15428 1/20 0.35
SMYD3 Q9H7B4 1/20 0.35
SRD5A2 P31213 2/20 0.35
MYC P01106 1/20 0.35
ESR1 P03372 1/20 0.35
ALOX15 P16050 1/20 0.35

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
SCHEMBL444289 0.76 MEN1 (0.50) SMYD3MEN1KMT2A
Hydrochloric Acid SCHEMBL6642375 0.72 ALDH1A1 (0.52) KDM4EPOLBTDP1ALDH1A1KDM1A
SCHEMBL21172588 0.71 KDM4E (0.47) KDM4EHSD17B10GAAPOLBTDP1
SCHEMBL443999 0.71 HDAC8 (0.52) HSD17B10ALDH1A1MAPTMEN1MAPK1
SCHEMBL444917 0.71 HDAC8 (0.52) L3MBTL1SRD5A2MEN1KMT2A
SCHEMBL28755180 0.69 LMNA (0.41) KDM4EHSD17B10GAAPOLBTDP1
SCHEMBL355303 0.68 OPRK1 (0.60) KDM4EHSD17B10ALDH1A1MAPT
SCHEMBL459393 0.68 DRD2 (0.60) KDM4EHSD17B10ALDH1A1KDM1AMAPT
SCHEMBL355302 0.68 OPRK1 (0.60) KDM4EHSD17B10ALDH1A1MAPT
SCHEMBL26119411 0.68 AADAT (0.45) ALDH1A1HPGDMEN1KMT2A

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 KDM4E 1251/4885HSD17B10 948/4885GAA 1033/4885

“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.