SCHEMBL3365028

SCHEMBL3365028

CN(C(=O)OC(C)(C)C)c1ccc(OCCCCBr)cc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.43
HDAC1 Q13547 1/20 0.42
GAA P10253 1/20 0.42
GPR119 Q8TDV5 1/20 0.42
MCHR1 Q99705 2/20 0.41
PAX8 Q06710 1/20 0.41
CA12 O43570 3/20 0.40
CA1 P00915 3/20 0.40
CA2 P00918 3/20 0.40
CA9 Q16790 3/20 0.40
POLB P06746 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
RXRA P19793 2/20 0.39
NR1H2 P55055 2/20 0.39
NR1H3 Q13133 2/20 0.39
THRA P10827 1/20 0.39
THRB P10828 1/20 0.39
TP53 P04637 1/20 0.38
TSHR P16473 1/20 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
SCHEMBL3367105 0.99 GAA (0.44) L3MBTL1HDAC1GAAGPR119MCHR1
SCHEMBL3368971 0.99 GAA (0.44) L3MBTL1HDAC1GAAGPR119MCHR1
SCHEMBL25960280 0.86 PAX8 (0.43) L3MBTL1HDAC1GPR119MCHR1PAX8
SCHEMBL25960279 0.80 PAX8 (0.44) PAX8POLBSMN1; SMN2RXRANR1H2
SCHEMBL3365475 0.79 LSS (0.57)
SCHEMBL3366751 0.79 SMN1; SMN2 (0.60) L3MBTL1HDAC1GAASMN1; SMN2
SCHEMBL8018111 0.79 PAX8 (0.55) GAAPAX8SMN1; SMN2RXRANR1H2
SCHEMBL3365192 0.78 LSS (0.59)
SCHEMBL3364560 0.78 LSS (0.59)
SCHEMBL29633133 0.78 L3MBTL1 (0.37) L3MBTL1HDAC1GAAGPR119CA12

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 L3MBTL1 1316/4885HDAC1 2673/4885GAA 377/4885

“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.