SCHEMBL3603542

SCHEMBL3603542

CCCOC(=O)Nc1c(C)cc([N+](=O)[O-])cc1C

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.50
MAPK1 P28482 4/20 0.48
NLRP3 Q96P20 2/20 0.47
ALDH1A1 P00352 3/20 0.46
MAPT P10636 7/20 0.44
KMT2A Q03164 5/20 0.44
LMNA P02545 5/20 0.44
MEN1 O00255 4/20 0.44
ALOX12 P18054 1/20 0.44
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
TDP1 Q9NUW8 2/20 0.42
HTT P42858 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HPGD P15428 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
NPC1 O15118 1/20 0.42
XBP1 P17861 1/20 0.41
AKR1B1 P15121 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
SCHEMBL2070181 0.82 ALDH1A1 (0.65) SMN1; SMN2ALDH1A1MAPTKMT2ALMNA
SCHEMBL18600162 0.82 HTT (0.51) SMN1; SMN2MAPK1ALDH1A1MAPTKMT2A
SCHEMBL3106554 0.79 MAPK1 (0.52) SMN1; SMN2MAPK1NLRP3ALDH1A1MAPT
SCHEMBL3596486 0.79 MAPK1 (0.52) SMN1; SMN2MAPK1NLRP3ALDH1A1KMT2A
SCHEMBL3607994 0.77 NLRP3 (0.52) SMN1; SMN2MAPK1NLRP3ALDH1A1KMT2A
SCHEMBL2072071 0.77 MAPT (0.67) SMN1; SMN2MAPK1ALDH1A1MAPTKMT2A
SCHEMBL18415443 0.76 ALDH1A1 (0.53) SMN1; SMN2MAPK1ALDH1A1MAPTKMT2A
SCHEMBL17997748 0.76 ALDH1A1 (0.50) SMN1; SMN2MAPK1ALDH1A1MAPTKMT2A
SCHEMBL3596907 0.75 MAPK1 (0.76) SMN1; SMN2MAPK1NLRP3ALDH1A1MAPT
SCHEMBL3597390 0.75 SMN1; SMN2 (0.51) SMN1; SMN2MAPK1ALDH1A1MAPTKMT2A

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 SMN1; SMN2 4052/4885MAPK1 2784/4885NLRP3 3233/4885
US-20060155121-A1 Substituted aniline derivatives UGT2B7, NAT1, CYP1A2 SMN1; SMN2 1908/4885MAPK1 1940/4885NLRP3 4464/4885

“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.