SCHEMBL3366751

SCHEMBL3366751

CN(C(=O)Oc1ccc(Cl)cc1)c1ccc(OCCCCBr)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.60
MAPT P10636 1/20 0.60
L3MBTL1 Q9Y468 2/20 0.57
LMNA P02545 1/20 0.57
LIPE Q05469 4/20 0.49
RAB9A P51151 3/20 0.46
NPC1 O15118 2/20 0.46
ALDH1A1 P00352 2/20 0.46
HDAC1 Q13547 2/20 0.46
CHRNB2 P17787 1/20 0.45
CHRNB4 P30926 1/20 0.45
CHRNA3 P32297 1/20 0.45
CHRNA4 P43681 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C19 P33261 1/20 0.44
BLM P54132 1/20 0.43
PMP22 Q01453 1/20 0.43
HRH3 Q9Y5N1 1/20 0.42
MEN1 O00255 2/20 0.42

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
SCHEMBL3365632 0.87 SMN1; SMN2 (0.56) SMN1; SMN2MAPTL3MBTL1LMNALIPE
SCHEMBL3369187 0.86 MAPT (0.53) SMN1; SMN2MAPTL3MBTL1LMNALIPE
SCHEMBL7201224 0.83 SMN1; SMN2 (0.52) SMN1; SMN2MAPTL3MBTL1LMNALIPE
SCHEMBL3365622 0.83 LSS (0.56) SMN1; SMN2MAPTL3MBTL1LMNALIPE
SCHEMBL3363725 0.80 LSS (0.55) SMN1; SMN2MAPTL3MBTL1LMNALIPE
SCHEMBL3365198 0.79 LSS (0.57) SMN1; SMN2MAPTL3MBTL1LMNAMEN1
SCHEMBL3365028 0.79 L3MBTL1 (0.43) SMN1; SMN2L3MBTL1HDAC1GAA
SCHEMBL3367105 0.78 GAA (0.44) L3MBTL1HDAC1GAA
SCHEMBL3368971 0.78 GAA (0.44) L3MBTL1HDAC1GAA
SCHEMBL3365570 0.78 SMN1; SMN2 (0.68) SMN1; SMN2MAPTL3MBTL1LMNALIPE

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-1303503-B1 ANILINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2010-01-27 EP disclosed
US-6683201-B2 FOR THERAPY AND PROPHYLAXIS OF HYPERCHOLESTEROLEMIA, HYPERLIPEMIA, ARTERIOSCLEROSIS, VASCULAR DISEASES, MYCOSES, PARASITE INFECTIONS, GALLSTONES, TUMORS AND/OR HYPERPROLIFERATIVE DISORDERS, DIABETES HOFFMANN-LA ROCHE INC. 2004-01-27 US disclosed
EP-1303503-A2 ANILINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2003-04-23 EP disclosed
US-20020038025-A1 Analine derivatives as OSC inhibitors F.HOFFMANN-LA ROCHE AG (CH) 2002-03-28 US disclosed
WO-2002006189-A2 ANILINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2002-01-24 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-20020038025-A1 Analine derivatives as OSC inhibitors LSS, CYP51A1, CYP46A1 SMN1; SMN2 4520/4885MAPT 4861/4885L3MBTL1 1316/4885

“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.