SCHEMBL3260074

SCHEMBL3260074

CC(=O)COc1c(C)cccc1C(=O)Nc1ncc(Br)s1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 1/20 0.47
FBP1 P09467 4/20 0.46
SETD1B Q9UPS6 1/20 0.44
CCNE1 P24864 1/20 0.44
CDK2 P24941 1/20 0.44
CDK5 Q00535 1/20 0.44
ALDH1A1 P00352 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
MAPK10 P53779 1/20 0.42
LMNA P02545 3/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
PKM P14618 1/20 0.41
GAA P10253 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
MAPT P10636 2/20 0.40
HDAC1 Q13547 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL14455124 0.87 FBP1 (0.50) STAT3FBP1CCNE1CDK2CDK5
SCHEMBL3263056 0.87 NPC1 (0.48) STAT3FBP1CCNE1CDK2CDK5
SCHEMBL3259757 0.87 STAT3 (0.47) STAT3ALDH1A1RAB9AGAAL3MBTL1
SCHEMBL13524016 0.86 ALDH1A1 (0.49) STAT3FBP1SETD1BCCNE1CDK2
SCHEMBL3258310 0.83 NPC1 (0.51) STAT3FBP1CCNE1CDK2CDK5
SCHEMBL3175859 0.82 STAT3 (0.67) STAT3FBP1CCNE1CDK2CDK5
SCHEMBL10201493 0.81 FBP1 (0.58) STAT3FBP1CCNE1CDK2CDK5
SCHEMBL13524020 0.76 RAB9A (0.51) STAT3FBP1ALDH1A1SMN1; SMN2LMNA
SCHEMBL3261622 0.74 LRRK2 (0.46) FBP1SETD1BALDH1A1SMN1; SMN2LMNA
SCHEMBL720134 0.73 SMN1; SMN2 (0.54) FBP1SETD1BCCNE1CDK2CDK5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1789040-B1 HALOGENATED BENZAMIDE DERIVATIVES ROMARK LAB LC (US) 2015-12-23 EP claimed
EP-1789040-A4 HALOGENATED BENZAMIDE DERIVATIVES ROMARK LAB LC (US) 2009-09-02 EP claimed
US-7550493-B2 Halogenated benzamide derivatives ROMARK LABORATORIES, LC (US) 2009-06-23 US claimed
US-20080097106-A1 HALOGENATED BENZAMIDE DERIVATIVES ROMARK LABORATORIES L.C. . (US) 2008-04-24 US claimed
US-7285567-B2 Halogenated benzamide derivatives ROMARK LABORATORIES, L.C. (US) 2007-10-23 US claimed
EP-1789040-A2 HALOGENATED BENZAMIDE DERIVATIVES Romark Laboratories, L.C. (US) 2007-05-30 EP claimed
US-20060089396-A1 Halogenated benzamide derivatives U.S. BANK NATIONAL ASSOCIATION 2006-04-27 US claimed
WO-2006031566-A2 HALOGENATED BENZAMIDE DERIVATIVES ROMARK LABORATORIES, L.C. (US) 2006-03-23 WO claimed
EP-1789040-B1 HALOGENATED BENZAMIDE DERIVATIVES ROMARK LAB LC (US) 2015-12-23 EP disclosed
US-7645783-B2 Halogenated benzamide derivatives ROMARK LABORATORIES L.C. (US) 2010-01-12 US disclosed
EP-1789040-A4 HALOGENATED BENZAMIDE DERIVATIVES ROMARK LAB LC (US) 2009-09-02 EP disclosed
US-7550493-B2 Halogenated benzamide derivatives ROMARK LABORATORIES, LC (US) 2009-06-23 US disclosed
US-20080097106-A1 HALOGENATED BENZAMIDE DERIVATIVES ROMARK LABORATORIES L.C. . (US) 2008-04-24 US disclosed
US-20080096941-A1 HALOGENATED BENZAMIDE DERIVATIVES ROMARK LABORATORIES L.C. (US) 2008-04-24 US disclosed
US-7285567-B2 Halogenated benzamide derivatives ROMARK LABORATORIES, L.C. (US) 2007-10-23 US disclosed
EP-1789040-A2 HALOGENATED BENZAMIDE DERIVATIVES Romark Laboratories, L.C. (US) 2007-05-30 EP disclosed
US-20060089396-A1 Halogenated benzamide derivatives U.S. BANK NATIONAL ASSOCIATION 2006-04-27 US disclosed
WO-2006031566-A2 HALOGENATED BENZAMIDE DERIVATIVES ROMARK LABORATORIES, L.C. (US) 2006-03-23 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 (3 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-20080097106-A1 HALOGENATED BENZAMIDE DERIVATIVES CBR3, CBR1, HDAC3 STAT3 4027/4885FBP1 3380/4885SETD1B 1601/4885
US-20060089396-A1 Halogenated benzamide derivatives CBR3, CBR1, HDAC3 STAT3 3774/4885FBP1 3177/4885SETD1B 1481/4885
US-20080096941-A1 HALOGENATED BENZAMIDE DERIVATIVES CBR3, H1-3, BCL3 STAT3 3680/4885FBP1 3332/4885SETD1B 2177/4885

“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.