SCHEMBL3600751

SCHEMBL3600751

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

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 7/20 0.48
SRC P12931 1/20 0.40
MAPK1 P28482 1/20 0.37
CSNK2A2 P19784 1/20 0.36
CSNK2A1 P68400 1/20 0.36
TSHR P16473 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MAP4K1 Q92918 1/20 0.35
NPC1 O15118 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
HPGD P15428 1/20 0.35
CYP2C19 P33261 1/20 0.35
RAB9A P51151 1/20 0.35
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL3607994 0.87 NLRP3 (0.52) NLRP3MAPK1SMN1; SMN2NPC1CYP1A2
SCHEMBL3596396 0.84 NLRP3 (0.60) NLRP3SMN1; SMN2NPC1CYP1A2CYP2C9
SCHEMBL3607558 0.82 MAPT (0.49) NLRP3MAPK1CSNK2A2CSNK2A1SMN1; SMN2
SCHEMBL2281889 0.74 HPGD (0.50) MAPK1TSHRSMN1; SMN2NPC1CYP1A2
SCHEMBL348699 0.72 SMN1; SMN2 (0.50) NLRP3SMN1; SMN2HPGDKDM4E
SCHEMBL4088389 0.71 TSHR (0.54) NLRP3TSHRHPGDRAB9AKDM4E
SCHEMBL347037 0.69 SRC (0.51) SRCMAPK1SMN1; SMN2HPGD
SCHEMBL3106591 0.69 FFAR1 (0.46) SMN1; SMN2HPGDKDM4E
SCHEMBL3492711 0.69 CSNK2A2 (0.38) MAPK1CSNK2A2CSNK2A1TSHRSMN1; SMN2
SCHEMBL4852614 0.68 NLRP3 (0.63) NLRP3MAPK1TSHRSMN1; SMN2NPC1

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 3233/4885SRC 1133/4885MAPK1 2784/4885
US-20060155121-A1 Substituted aniline derivatives UGT2B7, NAT1, CYP1A2 NLRP3 4464/4885SRC 1585/4885MAPK1 1940/4885

“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.