SCHEMBL4636216

SCHEMBL4636216

CNc1ccc(N)c(S)n1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 3/20 0.42
NUDT1 P36639 6/20 0.33
NNMT P40261 1/20 0.32
MAOB P27338 2/20 0.32
HTR6 P50406 2/20 0.31
KCNH2 Q12809 1/20 0.31
SCN5A Q14524 1/20 0.31
NOS3 P29474 1/20 0.30
NOS2 P35228 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL543721 0.78 HCAR3 (0.35)
SCHEMBL24160900 0.77 NCF1 (0.45) NCF1NUDT1NNMTMAOBHTR6
SCHEMBL3942677 0.76 NCF1 (0.43) NCF1NUDT1NNMTMAOBHTR6
SCHEMBL94534 0.76 NCF1 (0.43) NCF1NUDT1NNMTMAOBHTR6
SCHEMBL4637203 0.72 MAP4K4 (0.42) NUDT1CYP1A2CYP3A4CYP2C19
SCHEMBL19957709 0.71 NCF1 (0.39) NCF1NUDT1NNMTMAOB
SCHEMBL6679844 0.71 NCF1 (0.39) NCF1NUDT1NNMTMAOBCYP1A2
SCHEMBL15920651 0.70
SCHEMBL24069964 0.69 ALDH1A1 (0.44) NCF1SCN5ACYP1A2CYP3A4CYP2C19
SCHEMBL28091587 0.68 NCF1 (0.61) NCF1NNMTMAOBKCNH2SCN5A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080287434-A1 New amino-alkyl-amide derivatives as CCR3 receptor ligands SANOFI-AVENTIS (FR) 2008-11-20 US disclosed
CN-101268038-A Amino-alkyl-amide derivatives as CCR3 receptor ligands SANOFI AVENTIS (FR) 2008-09-17 CN disclosed
EP-1931620-A1 AMINO-ALKYL-AMIDE DERIVATIVES AS CCR3 RECEPTOR LIQUIDS Sanofi-Aventis (FR) 2008-06-18 EP disclosed
WO-2007034252-A1 AMINO-ALKYL-AMIDE DERIVATIVES AS CCR3 RECEPTOR LIQUIDS SANOFI-AVENTIS (FR) 2007-03-29 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 (1 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-20080287434-A1 New amino-alkyl-amide derivatives as CCR3 receptor ligands CCR3, CCR1, CCR4 NCF1 378/4885NUDT1 3322/4885NNMT 4018/4885

“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.