SCHEMBL3607994

SCHEMBL3607994

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

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 5/20 0.52
MAPK1 P28482 2/20 0.50
HPGD P15428 4/20 0.43
LMNA P02545 2/20 0.42
SMN1; SMN2 Q16637 5/20 0.42
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
KDM4E B2RXH2 1/20 0.38
CASP3 P42574 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
TP53 P04637 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
SCHEMBL3596396 0.89 NLRP3 (0.60) NLRP3HPGDSMN1; SMN2ALDH1A1NPC1
SCHEMBL3600751 0.87 NLRP3 (0.48) NLRP3MAPK1HPGDSMN1; SMN2NPC1
SCHEMBL3106554 0.81 MAPK1 (0.52) NLRP3MAPK1HPGDLMNASMN1; SMN2
SCHEMBL3596486 0.81 MAPK1 (0.52) NLRP3MAPK1HPGDLMNASMN1; SMN2
SCHEMBL3596907 0.78 MAPK1 (0.76) NLRP3MAPK1HPGDLMNASMN1; SMN2
SCHEMBL3603542 0.77 SMN1; SMN2 (0.50) NLRP3MAPK1HPGDLMNASMN1; SMN2
SCHEMBL348699 0.76 SMN1; SMN2 (0.50) NLRP3HPGDLMNASMN1; SMN2ALDH1A1
SCHEMBL4088389 0.76 TSHR (0.54) NLRP3HPGDLMNAALDH1A1MEN1
SCHEMBL4852614 0.75 NLRP3 (0.63) NLRP3MAPK1HPGDLMNASMN1; SMN2
SCHEMBL26588963 0.72 NLRP3 (0.78) NLRP3HPGDLMNASMN1; SMN2ALDH1A1

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 NLRP3 3233/4885MAPK1 2784/4885HPGD 3916/4885
US-20060155121-A1 Substituted aniline derivatives UGT2B7, NAT1, CYP1A2 NLRP3 4464/4885MAPK1 1940/4885HPGD 2100/4885

“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.