SCHEMBL446276

SCHEMBL446276

Cc1cc(Cl)ccc1-c1ccnc(Cl)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 3/20 0.43
PIK3CB P42338 3/20 0.43
PIK3CG P48736 3/20 0.43
MAPT P10636 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
JAK2 O60674 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
KMO O15229 1/20 0.42
NOTUM Q6P988 2/20 0.41
HDAC8 Q9BY41 1/20 0.40
KDM4C Q9H3R0 1/20 0.40
KDM5B Q9UGL1 1/20 0.40
MAP3K14 Q99558 1/20 0.38
GSK3B P49841 1/20 0.38
DYRK1A Q13627 1/20 0.38
HSP90AB1 P08238 2/20 0.38
SCN9A Q15858 2/20 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
SCHEMBL443407 0.82 MAPT (0.60) PIK3CAPIK3CBPIK3CGMAPTMEN1
SCHEMBL27744528 0.81 MAPT (0.51) PIK3CAPIK3CBPIK3CGMAPTMEN1
SCHEMBL3364321 0.80 EGLN2 (0.47) MAP3K14SCN9A
SCHEMBL25281127 0.79 IDO1 (0.46) PIK3CAPIK3CBPIK3CGMAPTMEN1
SCHEMBL2353608 0.79 CYP1A2 (0.44) MAPTMEN1KMT2ASMN1; SMN2JAK2
SCHEMBL14943089 0.78 MEN1 (0.47) MAPTMEN1KMT2ASMN1; SMN2JAK2
SCHEMBL319801 0.76 CYP19A1 (0.51) PIK3CAPIK3CBPIK3CGMAPTMEN1
SCHEMBL27581704 0.76 JAK2 (0.47) MAPTJAK2NPC1RAB9ANOTUM
SCHEMBL1033197 0.76 ALDH1A1 (0.55) MEN1KMT2ASMN1; SMN2JAK2
SCHEMBL25821003 0.75 KDM4E (0.46) MAPTHDAC8KDM4CDYRK1A

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 PIK3CA 1728/4885PIK3CB 3181/4885PIK3CG 3690/4885

“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.