SCHEMBL3608727

SCHEMBL3608727

O=C(CC1CCCC1)Nc1c(Cl)cc(Br)cc1Cl

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.59
NPC1 O15118 7/20 0.59
KMT2A Q03164 3/20 0.59
AAK1 Q2M2I8 2/20 0.53
EPHX2 P34913 3/20 0.51
MEN1 O00255 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
P2RX7 Q99572 2/20 0.48
NAMPT P43490 1/20 0.46
HPGD P15428 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 1/20 0.46
TDP1 Q9NUW8 1/20 0.45
ROCK2 O75116 1/20 0.44
LMNA P02545 1/20 0.44

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
SCHEMBL3112881 0.84 RAB9A (0.51) RAB9ANPC1KMT2AAAK1EPHX2
SCHEMBL3598635 0.84 EPHX2 (0.50) RAB9ANPC1KMT2AAAK1EPHX2
SCHEMBL2436291 0.82 RAB9A (0.60) RAB9ANPC1KMT2AAAK1EPHX2
SCHEMBL2437836 0.76 RAB9A (0.48) RAB9ANPC1KMT2AAAK1EPHX2
SCHEMBL1001118 0.76 NPC1 (0.47) RAB9ANPC1KMT2AMEN1P2RX7
SCHEMBL19181787 0.76 KCNJ11 (0.47) RAB9ANPC1EPHX2L3MBTL1P2RX7
SCHEMBL3609248 0.74 KCNJ11 (0.46) RAB9ANPC1KMT2AAAK1EPHX2
SCHEMBL6567255 0.74 EPHX2 (0.59) RAB9ANPC1KMT2AEPHX2MEN1
SCHEMBL3109754 0.73 RAB9A (0.51) RAB9ANPC1KMT2AEPHX2MEN1
SCHEMBL1948889 0.73 NPC1 (0.69) RAB9ANPC1KMT2AAAK1EPHX2

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
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
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 RAB9A 1342/4885NPC1 2112/4885KMT2A 398/4885
US-20060155121-A1 Substituted aniline derivatives UGT2B7, NAT1, CYP1A2 RAB9A 2330/4885NPC1 531/4885KMT2A 1829/4885

“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.