SCHEMBL3609244

SCHEMBL3609244

Nc1cc(Br)c(NC(=O)CCC2CCCCC2)c(C(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPL P05186 2/20 0.44
ALOX15 P16050 1/20 0.44
ALDH1A1 P00352 6/20 0.43
NPC1 O15118 5/20 0.43
SMN1; SMN2 Q16637 5/20 0.43
RAB9A P51151 4/20 0.43
HPGD P15428 1/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
HSD17B10 Q99714 1/20 0.43
LDLR P01130 1/20 0.42
GAA P10253 1/20 0.42
PKM P14618 1/20 0.42
HTT P42858 1/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
TP53 P04637 1/20 0.41
TSHR P16473 1/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL3608891 0.82 SMN1; SMN2 (0.49) ALPLALOX15ALDH1A1NPC1SMN1; SMN2
SCHEMBL30794497 0.79 ALDH1A1 (0.47) ALPLALOX15ALDH1A1NPC1SMN1; SMN2
SCHEMBL2437980 0.79 ALDH1A1 (0.47) ALPLALOX15ALDH1A1NPC1SMN1; SMN2
SCHEMBL1001118 0.79 NPC1 (0.47) ALPLALOX15ALDH1A1NPC1SMN1; SMN2
SCHEMBL14846488 0.78 ALPL (0.43) ALPLALOX15ALDH1A1NPC1SMN1; SMN2
SCHEMBL2438542 0.78 ALDH1A1 (0.48) ALPLALDH1A1NPC1SMN1; SMN2RAB9A
SCHEMBL30796693 0.78 ALDH1A1 (0.48) ALPLALDH1A1NPC1SMN1; SMN2RAB9A
SCHEMBL3609248 0.75 KCNJ11 (0.46) ALPLNPC1SMN1; SMN2RAB9AHPGD
SCHEMBL3098346 0.75 UTS2R (0.43) ALDH1A1NPC1SMN1; SMN2RAB9AHPGD
SCHEMBL30814192 0.75 UTS2R (0.43) ALDH1A1NPC1SMN1; SMN2RAB9AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100063044-A1 SUBSTITUTED ANILINE DERIVATIVES H. LUNDBECK A/S (DK) 2010-03-11 US disclosed
US-7601870-B2 Such as Hexanoic acid (4-bromo-2,6-dimethyl-phenyl)-amide; potassium channel modulators; epilepsy H. LUNDBECK A/S (DK) 2009-10-13 US disclosed
CN-101056845-A Substituted aniline derivatives LUNDBECK & CO AS H (DK) 2007-10-17 CN disclosed
EP-1791809-A1 SUBSTITUTED ANILINE DERIVATIVES H. LUNDBECK A/S (DK) 2007-06-06 EP disclosed
US-20060155121-A1 Substituted aniline derivatives H. LUNDBECK A/S (DK) 2006-07-13 US disclosed
WO-2006029623-A1 SUBSTITUTED ANILINE DERIVATIVES H. LUNDBECK A/S (DK) 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 (2 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-20100063044-A1 SUBSTITUTED ANILINE DERIVATIVES NDUFS3, NAT1, PRMT3 ALPL 3754/4885ALOX15 4149/4885ALDH1A1 206/4885
US-20060155121-A1 Substituted aniline derivatives UGT2B7, NAT1, CYP1A2 ALPL 1942/4885ALOX15 4038/4885ALDH1A1 178/4885

“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.