SCHEMBL446946

SCHEMBL446946

Clc1nccc(-c2ccc(Oc3ccccc3)cc2)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.52
MAPT P10636 2/20 0.52
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
HTT P42858 1/20 0.50
LTA4H P09960 2/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
IKBKB O14920 4/20 0.48
KDM4E B2RXH2 1/20 0.44
PTGS2 P35354 1/20 0.44
AURKA O14965 1/20 0.43
HSP90AA1 P07900 1/20 0.43
PRKACA P17612 1/20 0.43
ADORA2A P29274 1/20 0.43
ALDH1A1 P00352 2/20 0.43
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43

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
SCHEMBL16161191 0.84 KMT2A (0.55) L3MBTL1MAPTMEN1KMT2AHTT
SCHEMBL445042 0.84 MEN1 (0.59) L3MBTL1MAPTMEN1KMT2ARAB9A
SCHEMBL6741053 0.83 KMT2A (0.61) L3MBTL1MAPTMEN1KMT2ALTA4H
SCHEMBL31086460 0.81 PRMT5 (0.53) L3MBTL1MAPTMEN1KMT2ANPC1
SCHEMBL29254767 0.81 PRMT5 (0.53) L3MBTL1MAPTMEN1KMT2ANPC1
SCHEMBL212750 0.79 NPC1 (0.61) L3MBTL1MAPTMEN1KMT2ANPC1
Pyrazine SCHEMBL28285881 0.79 KMT2A (0.53) L3MBTL1MAPTMEN1KMT2ANPC1
SCHEMBL14653448 0.78 MEN1 (0.53) L3MBTL1MAPTMEN1KMT2AHTT
SCHEMBL190518 0.77 PLAAT3 (0.48) L3MBTL1MEN1KMT2AHTTLTA4H
SCHEMBL3394519 0.77 MAPT (0.49) L3MBTL1MAPTMEN1KMT2ANPC1

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 L3MBTL1 3132/4885MAPT 4852/4885MEN1 339/4885

“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.