SCHEMBL443407

SCHEMBL443407

Clc1ccc(-c2ccnc(Cl)n2)c(Cl)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.60
PIK3CA P42336 4/20 0.60
PIK3CB P42338 4/20 0.60
PIK3CG P48736 4/20 0.60
MEN1 O00255 1/20 0.60
KMT2A Q03164 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
NPC1 O15118 3/20 0.51
RAB9A P51151 3/20 0.51
KDM4E B2RXH2 2/20 0.51
POLB P06746 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
HSP90AA1 P07900 2/20 0.49
HSP90AB1 P08238 2/20 0.49
LMNA P02545 1/20 0.46
EGLN2 Q96KS0 1/20 0.45
TDP1 Q9NUW8 1/20 0.44
KMO O15229 1/20 0.44
ALDH1A1 P00352 1/20 0.44
PKM P14618 1/20 0.44

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
SCHEMBL25281127 0.85 IDO1 (0.46) MAPTPIK3CAPIK3CBPIK3CGMEN1
SCHEMBL27744528 0.84 MAPT (0.51) MAPTPIK3CAPIK3CBPIK3CGMEN1
SCHEMBL3251094 0.82 MAPT (0.45) MAPTPIK3CAPIK3CBPIK3CGMEN1
SCHEMBL1759878 0.82 MAPT (0.72) MAPTPIK3CAPIK3CBPIK3CGMEN1
SCHEMBL446276 0.82 PIK3CA (0.43) MAPTPIK3CAPIK3CBPIK3CGMEN1
SCHEMBL3247852 0.81 PIK3CA (0.44) MAPTPIK3CAPIK3CBPIK3CGMEN1
SCHEMBL4809419 0.81 MAPT (0.83) MAPTPIK3CAPIK3CBPIK3CGMEN1
SCHEMBL3253724 0.80 PDE2A (0.46) MAPTPIK3CAPIK3CBPIK3CGMEN1
SCHEMBL319801 0.79 CYP19A1 (0.51) MAPTPIK3CAPIK3CBPIK3CGMEN1
SCHEMBL447060 0.77 CYP19A1 (0.47) SMN1; SMN2NPC1RAB9AL3MBTL1HSP90AA1

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 MAPT 4852/4885PIK3CA 1728/4885PIK3CB 3181/4885

“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.