SCHEMBL3600618

SCHEMBL3600618

O=C(CC1CCCC1)Nc1c(Cl)cc([N+](=O)[O-])cc1C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNJ11 Q14654 1/20 0.43
EPHX2 P34913 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
P2RX1 P51575 1/20 0.39
CSNK1D P48730 1/20 0.39
RORC P51449 1/20 0.39
P2RX7 Q99572 2/20 0.39
NAMPT P43490 1/20 0.39
MAPT P10636 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
TRPV1 Q8NER1 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
SCHEMBL2436472 0.84 POLB (0.46) EPHX2L3MBTL1ALDH1A1GAASMN1; SMN2
SCHEMBL3609248 0.81 KCNJ11 (0.46) KCNJ11EPHX2L3MBTL1SMN1; SMN2CSNK1D
SCHEMBL3608891 0.77 SMN1; SMN2 (0.49) ALDH1A1GAASMN1; SMN2MAPTNPC1
SCHEMBL3610507 0.77 RAB9A (0.49) EPHX2ALDH1A1GAASMN1; SMN2MAPT
SCHEMBL2438530 0.74 L3MBTL1 (0.48) KCNJ11EPHX2L3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL30795419 0.74 L3MBTL1 (0.48) KCNJ11EPHX2L3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL30795357 0.73 RAB9A (0.44) KCNJ11EPHX2L3MBTL1ALDH1A1GAA
SCHEMBL3106833 0.73 RAB9A (0.44) KCNJ11EPHX2L3MBTL1ALDH1A1GAA
SCHEMBL27729318 0.73 CSNK1D (0.42) KCNJ11EPHX2L3MBTL1CSNK1DNAMPT
SCHEMBL14263849 0.72 CYP3A4 (0.43) KCNJ11L3MBTL1ALDH1A1SMN1; SMN2MAPT

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 KCNJ11 1868/4885EPHX2 3980/4885L3MBTL1 1647/4885
US-20060155121-A1 Substituted aniline derivatives UGT2B7, NAT1, CYP1A2 KCNJ11 2931/4885EPHX2 3893/4885L3MBTL1 3592/4885

“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.