SCHEMBL3596486

SCHEMBL3596486

CCCOC(=O)Nc1c(C)cc(N)cc1C

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.52
NLRP3 Q96P20 3/20 0.51
SMN1; SMN2 Q16637 4/20 0.48
ALDH1A1 P00352 2/20 0.48
HPGD P15428 3/20 0.46
LMNA P02545 2/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
NPC1 O15118 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
RAB9A P51151 1/20 0.43
HDAC1 Q13547 2/20 0.42
HDAC2 Q92769 2/20 0.42
HDAC3 O15379 1/20 0.42
TP53 P04637 1/20 0.40
POLB P06746 1/20 0.39

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
SCHEMBL11715963 0.88 NLRP3 (0.59) MAPK1NLRP3SMN1; SMN2LMNAKMT2A
SCHEMBL3106554 0.84 MAPK1 (0.52) MAPK1NLRP3SMN1; SMN2ALDH1A1HPGD
SCHEMBL3607994 0.81 NLRP3 (0.52) MAPK1NLRP3SMN1; SMN2ALDH1A1HPGD
SCHEMBL2069726 0.80 SMN1; SMN2 (0.59) MAPK1SMN1; SMN2ALDH1A1HPGDLMNA
SCHEMBL3596907 0.80 MAPK1 (0.76) MAPK1NLRP3SMN1; SMN2ALDH1A1HPGD
SCHEMBL18600164 0.79 HPGD (0.44) NLRP3SMN1; SMN2ALDH1A1HPGDLMNA
SCHEMBL3603542 0.79 SMN1; SMN2 (0.50) MAPK1NLRP3SMN1; SMN2ALDH1A1HPGD
SCHEMBL11722019 0.78 NLRP3 (0.49) NLRP3SMN1; SMN2ALDH1A1HPGDKMT2A
SCHEMBL4852614 0.77 NLRP3 (0.63) MAPK1NLRP3SMN1; SMN2ALDH1A1HPGD
SCHEMBL4345715 0.77 HPGD (0.46) MAPK1NLRP3SMN1; SMN2ALDH1A1HPGD

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

“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.