SCHEMBL6476823

SCHEMBL6476823

COCCN(C)c1cccc(C#N)c1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 3/20 0.46
KCNN4 O15554 1/20 0.46
ALOX12 P18054 1/20 0.39
CLK1 P49759 1/20 0.37
GLA P06280 1/20 0.37
GSK3B P49841 1/20 0.36
MTNR1A P48039 4/20 0.36
MTNR1B P49286 4/20 0.36
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
KMT2A Q03164 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
GRM5 P41594 2/20 0.36
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL27940602 0.81 KCNN4 (0.45) KCNA5KCNN4CLK1GLAGSK3B
SCHEMBL2384890 0.81 KCNN4 (0.45) KCNA5KCNN4CLK1GLAGSK3B
SCHEMBL10019235 0.81 KCNN4 (0.45) KCNA5KCNN4CLK1GLAGSK3B
SCHEMBL14034634 0.79 KCNN4 (0.50) KCNA5KCNN4SLC6A4
SCHEMBL14034729 0.78 KCNN4 (0.48) KCNA5KCNN4GLAGSK3B
SCHEMBL16633470 0.78 KCNN4 (0.43) KCNA5KCNN4CLK1GSK3BMTNR1A
SCHEMBL14155119 0.78 KCNN4 (0.43) KCNA5KCNN4CLK1GLAKMT2A
SCHEMBL16633229 0.78 KCNN4 (0.43) KCNA5KCNN4GLAMTNR1AMTNR1B
SCHEMBL14034702 0.77 KCNN4 (0.48) KCNA5KCNN4ALDH1A1
SCHEMBL13164572 0.77 HTR7 (0.45) MTNR1AMTNR1B

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-6956037-B2 Benzamide derivatives for the treatment of diseases mediated by cytokines ASTRAZENECA AB (SE) 2005-10-18 US disclosed
US-20030212068-A1 Benzamide derivatives for the treatment of diseases mediated by cytokines ASTRAZENECA AB 2003-11-13 US disclosed
US-6579872-B1 Such as TNF, in particular of TNF alpha, and various interleukins, in particular IL-1; N-(5-(4-(3-hydroxypropoxy)benzamido)-2-methylphenyl)-3,4-dimethoxybenzamide ASTRAZENECA AB (SE) 2003-06-17 US disclosed
EP-1077931-A1 BENZAMIDE DERIVATIVES FOR THE TREATMENT OF DISEASES MEDIATED BY CYTOKINES AstraZeneca AB (SE) 2001-02-28 EP disclosed
WO-1999059959-A1 BENZAMIDE DERIVATIVES FOR THE TREATMENT OF DISEASES MEDIATED BY CYTOKINES ASTRAZENECA AB (SE) 1999-11-25 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-20030212068-A1 Benzamide derivatives for the treatment of diseases mediated by cytokines IL2, IL6, IL6ST KCNA5 2040/4885KCNN4 3910/4885ALOX12 643/4885

“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.