SCHEMBL3259757

SCHEMBL3259757

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

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 1/20 0.47
ALDH1A1 P00352 2/20 0.43
ALOX15 P16050 1/20 0.43
MAPK14 Q16539 2/20 0.42
LCK P06239 2/20 0.41
PDE10A Q9Y233 1/20 0.41
GAA P10253 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
RAB9A P51151 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
SCHEMBL3260074 0.87 STAT3 (0.47) STAT3ALDH1A1GAAL3MBTL1RAB9A
SCHEMBL13524018 0.86 ALDH1A1 (0.49) STAT3ALDH1A1ALOX15MAPK14LCK
SCHEMBL23026966 0.82 STAT3 (0.67) STAT3ALDH1A1ALOX15MAPK14LCK
SCHEMBL25143170 0.81 RAB9A (0.57) STAT3ALDH1A1ALOX15LCKRAB9A
SCHEMBL3958980 0.78 STAT3 (0.45) STAT3ALDH1A1ALOX15RAB9A
SCHEMBL3263056 0.74 NPC1 (0.48) STAT3ALDH1A1GAAL3MBTL1RAB9A
SCHEMBL14455124 0.73 FBP1 (0.50) STAT3ALDH1A1ALOX15GAAL3MBTL1
SCHEMBL19428399 0.73 NPC1 (0.68) STAT3ALDH1A1ALOX15GAAL3MBTL1
SCHEMBL13524016 0.73 ALDH1A1 (0.49) STAT3ALDH1A1RAB9A
SCHEMBL24072541 0.72 ALOX15 (0.52) STAT3ALDH1A1ALOX15PDE10AGAA

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 13 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
US-7285567-B2 Halogenated benzamide derivatives ROMARK LABORATORIES, L.C. (US) 2007-10-23 US claimed
US-20060089396-A1 Halogenated benzamide derivatives U.S. BANK NATIONAL ASSOCIATION 2006-04-27 US 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 4027/4885ALDH1A1 1137/4885ALOX15 2936/4885
US-20060089396-A1 Halogenated benzamide derivatives CBR3, CBR1, HDAC3 STAT3 3774/4885ALDH1A1 1061/4885ALOX15 3431/4885
US-20080096941-A1 HALOGENATED BENZAMIDE DERIVATIVES CBR3, H1-3, BCL3 STAT3 3680/4885ALDH1A1 1108/4885ALOX15 3349/4885

“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.